Reactor Modeling Tools – Multiple Regressions
CONTENTS
0 INTRODUCTION
1 SCOPE
2 THEORY
3 EXCEL 2007: MULTIPLE REGRESSIONS
3.1 Overview
3.2 Multiple Regression Using the Data Analysis ADD-IN
3.3 Interpret Regression Statistics Table
3.4 Interpret ANOVA Table
3.5 Interpret Regression Coefficients Table
3.6 Confidence Intervals for Slope Coefficients
3.7 Test Hypothesis of Zero Slope Coefficients ("Test of Statistical Significance")
3.8 Test Hypothesis on a Regression Parameter
3.8.1 Using the p-value approach
3.8.2 Using the critical value approach
3.9 Overall Test of Significance of the Regression Parameters
3.10 Predicted Value of Y Given Regressors
3.11 Excel Limitations
4 SPECIAL FEATURES REQUIRING MORE SOPHISTICATED TECHNIQUES
5 USER INFORMATION SUPPLIED
A SUBROUTINE
B DATA
C RESULTS
6 EXAMPLE
Integration of Rotary Positive Displacement Pumps into a ProcessGerard B. Hawkins
Integration of Rotary Positive Displacement Pumps into a Process
This Engineering Design Guide deals with:
(a) The specification of the pump duty for enquiries to be sent to pump vendors,
(b) The estimation of the characteristics and requirements of the pumps in order to provide preliminary information for design work by others.
It applies to pumps in Group 2 and 3 as defined in GBHE-EDS-MAC-21 Series, and is also an essential preliminary step for a pump in Group 1 whose final duty is negotiated with the chosen pump supplier.
It may be used for general-purpose pumps in Group 4; their duties when used in a support role are often inadequately defined, whereupon such pumps can be specified by reference to the manufacturer's data for a pump satisfactorily fulfilling the same process need.
This Engineering Design Guide has several aims.
It is intended to take an experienced mechanical engineer through the steps necessary to specify a gear and to carry out an assessment of gears offered against a particular specification for pumps, fans and compressors driven by electric motors, steam turbines, combustion gas turbines or expanders. It is not part of this Engineering Design Guide to show how to decide that a gear is or is not necessary for a particular duty.
Reactor Modeling Tools - An Overview
CONTENTS
1 SCOPE
2 OPTIONS IN REACTOR MODELING
2.1 General
2.2 Level of Complexity of Model
2.3 Mode of Operation of Model
2.4 Deterministic versus Empirical Modeling
2.5 Platforms for Model
2.6 Steady State versus Dynamic Model
2.7 Dimensions Modeled in Reactor
2.8 Scale of Modeling for Multiphase Reactors
2.9 Writing and Using the Model
APPENDICES
A CHARACTERISTICS OF DIFFERENT REACTOR MODELS
B NEEDS FOR MODELING AT DIFFERENT SCALES IN
HETEROGENEOUS CATALYTIC REACTORS
C REACTOR MODELS EMPLOYED WITHIN GBHE
DOCUMENTS REFERRED TO IN THIS PROCESS ENGINEERING GUIDE
GBH Enterprises specializes in catalyst and process technology for refining, gas processing, and petrochemical industries. They provide catalyst performance evaluation, heat and mass balance analysis, and commercialization of new technologies. The document describes two case studies of olefin hydrogenation using Vulcan catalysts. Both cases require a recycle stream to control exotherms. The results show the reactor sizing and operating parameters needed to meet a 5-year minimum catalyst life for both cases.
The Selection of Flocculants and other Solid-Liquid Separation AidsGerard B. Hawkins
The use of chemical additives, such as flocculants, is a common step in solid-liquid separation operations. The correct selection of agent is an essential part of the design of such processes. Many excellent reviews and guides deal with this topic, and the interested reader is referred to works such as [l-4]. In particular the Harwell-Warren Spring Report “The Use and Selection of Flocculants" provides a good overview on the application of coagulants and flocculants. This section does not attempt to reproduce a detailed treatment of that kind; instead it is our intention to state a few general rules and principles concerning methods of choosing an additive, and to illustrate briefly their application in practice.
The types of agents employed in solid-liquid separation fall into three principal classes:
METHANOL PLANT - SHALE GAS FEED PRETREATMENT
CASE STUDY #091406
Case Background
A Methanol plant operator would like to examine the technical feasibility of using Shale Gas as a feedstock to their Methanol plant.
The first step in the Methanol production process is gas pretreatment. The purpose of gas pretreatment is to make the gas suitable for the downstream processes. There are two groups of compounds that are usually present in natural gas and that should be removed during pretreatment—the associate NGL and the sulfur-containing compounds. Some natural gas reservoirs may also have other trace components that must be removed, but these are not discussed here.
This case study examines the impact of CO2 (Carbon Dioxide) on the pre-treatment section design, performance and efficiency of ACME Methanol Plant’ feed gas pre-treatment section.
Case 1: Normal Shale Gas
Case 2: “Bad Gas”
Case 3: Low CO2
Case 4: High CO2
Integration of Rotary Positive Displacement Pumps into a ProcessGerard B. Hawkins
Integration of Rotary Positive Displacement Pumps into a Process
This Engineering Design Guide deals with:
(a) The specification of the pump duty for enquiries to be sent to pump vendors,
(b) The estimation of the characteristics and requirements of the pumps in order to provide preliminary information for design work by others.
It applies to pumps in Group 2 and 3 as defined in GBHE-EDS-MAC-21 Series, and is also an essential preliminary step for a pump in Group 1 whose final duty is negotiated with the chosen pump supplier.
It may be used for general-purpose pumps in Group 4; their duties when used in a support role are often inadequately defined, whereupon such pumps can be specified by reference to the manufacturer's data for a pump satisfactorily fulfilling the same process need.
This Engineering Design Guide has several aims.
It is intended to take an experienced mechanical engineer through the steps necessary to specify a gear and to carry out an assessment of gears offered against a particular specification for pumps, fans and compressors driven by electric motors, steam turbines, combustion gas turbines or expanders. It is not part of this Engineering Design Guide to show how to decide that a gear is or is not necessary for a particular duty.
Reactor Modeling Tools - An Overview
CONTENTS
1 SCOPE
2 OPTIONS IN REACTOR MODELING
2.1 General
2.2 Level of Complexity of Model
2.3 Mode of Operation of Model
2.4 Deterministic versus Empirical Modeling
2.5 Platforms for Model
2.6 Steady State versus Dynamic Model
2.7 Dimensions Modeled in Reactor
2.8 Scale of Modeling for Multiphase Reactors
2.9 Writing and Using the Model
APPENDICES
A CHARACTERISTICS OF DIFFERENT REACTOR MODELS
B NEEDS FOR MODELING AT DIFFERENT SCALES IN
HETEROGENEOUS CATALYTIC REACTORS
C REACTOR MODELS EMPLOYED WITHIN GBHE
DOCUMENTS REFERRED TO IN THIS PROCESS ENGINEERING GUIDE
GBH Enterprises specializes in catalyst and process technology for refining, gas processing, and petrochemical industries. They provide catalyst performance evaluation, heat and mass balance analysis, and commercialization of new technologies. The document describes two case studies of olefin hydrogenation using Vulcan catalysts. Both cases require a recycle stream to control exotherms. The results show the reactor sizing and operating parameters needed to meet a 5-year minimum catalyst life for both cases.
The Selection of Flocculants and other Solid-Liquid Separation AidsGerard B. Hawkins
The use of chemical additives, such as flocculants, is a common step in solid-liquid separation operations. The correct selection of agent is an essential part of the design of such processes. Many excellent reviews and guides deal with this topic, and the interested reader is referred to works such as [l-4]. In particular the Harwell-Warren Spring Report “The Use and Selection of Flocculants" provides a good overview on the application of coagulants and flocculants. This section does not attempt to reproduce a detailed treatment of that kind; instead it is our intention to state a few general rules and principles concerning methods of choosing an additive, and to illustrate briefly their application in practice.
The types of agents employed in solid-liquid separation fall into three principal classes:
METHANOL PLANT - SHALE GAS FEED PRETREATMENT
CASE STUDY #091406
Case Background
A Methanol plant operator would like to examine the technical feasibility of using Shale Gas as a feedstock to their Methanol plant.
The first step in the Methanol production process is gas pretreatment. The purpose of gas pretreatment is to make the gas suitable for the downstream processes. There are two groups of compounds that are usually present in natural gas and that should be removed during pretreatment—the associate NGL and the sulfur-containing compounds. Some natural gas reservoirs may also have other trace components that must be removed, but these are not discussed here.
This case study examines the impact of CO2 (Carbon Dioxide) on the pre-treatment section design, performance and efficiency of ACME Methanol Plant’ feed gas pre-treatment section.
Case 1: Normal Shale Gas
Case 2: “Bad Gas”
Case 3: Low CO2
Case 4: High CO2
Low Temperature Shift Catalyst Reduction Procedure
VSG-C111 as supplied contains copper oxide; it is activated for the low temperature shift duty by reducing the copper oxide component to metallic copper with hydrogen. The reaction is highly exothermic. In order to achieve maximum activity, good performance and long life, it is essential that the reduction is conducted under correctly controlled conditions. Great care must be taken to avoid thermal damage during this critical operation.
SYNGAS CONDITIONING UNIT FEASIBILITY CASE STUDY: COAL-TO-LIQUIDSGerard B. Hawkins
SYNGAS CONDITIONING UNIT FEASIBILITY CASE STUDY: COAL-TO-LIQUIDS
Case Study: #0953616GB/H
HT SHIFT REACTOR CATALYST SPECIFICATION
Process Specification
This process duty specification refers to a Syngas Conditioning Unit which utilizes HT Shift reaction technology on a slip stream of raw gas to produce a recombined gas stream with a H2:CO ratio of 1.57:1. This is an important consideration as the Shift reactor is not required to minimize CO at outlet, and this specification refers to the expected performance that can be achieved in a single stage reactor scheme.
The Syngas Conditioning Unit is part of a proposed coal-to-liquids complex in which synthesis gas is produced by gasification of coal for downstream processing in a Fischer Tropsch reactor and Hydrocracker unit.
The document contains a list of typical process equipment used in reforming and catalyst regeneration sections of a refinery, including reactors, columns, vessels, furnaces, heat exchangers, pumps, compressors and blowers. It also provides comparisons of different reforming processes and their key parameters such as RON, reaction pressure, LHSV, H2/HC ratio, yield and cycle length. Finally, it summarizes the assessment of a recommended process/technology for criteria such as performance, reliability, safety, costs and flexibility.
Reactor Arrangement for Continuous Vapor Phase ChlorinationGerard B. Hawkins
Reactor Arrangement for Continuous Vapor Phase Chlorination
CONTENTS
1 BACKGROUND
2 REACTOR
3 CHEMICAL SYSTEM
4 PROCESS CHEMISTRY
5 KINETICS EXPERIMENTS AND MODELING
6 INTERPRETATION OF KINETICS INFORMATION
7 OPERATING CONDITIONS AND REACTOR DESIGN
8 REACTOR STABILITY AND CONTROL
FIGURES
1 POSTULATED REACTION PATHS FOR PROGRESSIVE CHLORINATION OF B-PICOLINE 3
2 CHLORINATION OF b-PICOLINE: MODEL PREDICTIONS OF PRODUCT DISTRIBUTION IN FULLY-MIXED REACTOR
3 TWO-STAGE REACTOR: RATE OF CHLORINATION OF b-PICOLINE
DOCUMENTS REFERRED TO IN THIS PROCESS ENGINEERING GUIDE
The Design and Layout of Vertical Thermosyphon ReboilersGerard B. Hawkins
The Design and Layout of Vertical Thermosyphon Reboilers
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 THE DESIGN PROBLEM
5 COMPUTER PROGRAMS
6 GENERAL CONSIDERATIONS
6.1 Heating Medium Temperature
6.2 Fouling Resistance
7 DESIGN PARAMETERS
7.1 Overall Arrangement and Specifications
7.2 Geometry Elements
8 ANALYSIS OF COMMERCIALLY AVAILABLE
PROGRAM RESULTS
8.1 Main Results
8.2 Supplementary Results
8.3 Error Analysis
8.4 Adjustments to Design
9 OPERATING RANGE
10 CONTROL
10.1 Control of Condensing Heating Medium Pressure
10.2 Control of The Condensate Level
10.3 Control of Sensible Fluid Flow Rate
11 LAYOUT
11.1 Factors Influencing Design
11.2 A Standard Layout
12 BIBLIOGRAPHY
0 INTRODUCTION
The four main sources of Fugitive Emissions on most plants are valves, machine seals, re-makable joints and pressure relief devices. Other possible sources include open-ended lines, sampling connections, drains and vents.
Sometimes special precautions are taken to minimize Fugitive Emissions, for example the use of bellows seal valves. However, generally no special precautions are taken and the subsequent Fugitive Emissions to atmosphere represent a significant amount of plant losses.
Regulatory requirements covering Fugitive Emissions exist in many countries and therefore a leak reduction program should be implemented. Fugitive Emissions also represent financial losses to the business as well as potential damage to the environment.
GBH Enterprises provides activated carbon regeneration services for refineries using a multi-step air-steam process. The process involves slowly depressurizing the carbon bed, applying steam to desorb contaminants, then introducing increments of air up to 5000 ppm to burn off remaining contaminants. Temperature and oxygen levels are monitored throughout to ensure safe regeneration of the activated carbon for reuse in purification processes.
Naphtha Steam Reforming Catalyst Reduction with MethanolGerard B. Hawkins
Procedure for Naphtha Steam Reforming Catalyst Reduction with Methanol
Scope
This procedure applies to the in situ reduction of VULCAN Series steam reforming catalysts using methanol cracking to form hydrogen over the catalyst in the steam reformer.
The procedure is likely to be applied to plants using only heavier feeds (e.g.: LPG and/or naphtha) and some combination of VULCAN Series catalysts.
Introduction
A small number of steam reforming plants do not have an available source of the commonly used reducing media (e.g.: hydrogen, hydrogen-rich off-gas, natural gas). These plants will usually operate on LPG and/or naphtha feed only where cracking of this hydrocarbon is not usually advised for reduction of the steam reforming catalyst ...
Biological Systems: A Special Case
Up till now we have discussed various aspects of the separation and processing of fine solids without too much reference (except in the examples) to the specifics of the properties of the materials concerned. Though the material properties are the dominant influence on efficient process design and operation, it has been postulated that the necessary characteristics for process selection and optimization can be found fairly readily using easily-applicable rheological and other techniques. This underlying assumption also seems to hold good for biological suspensions; however, certain aspects of the behavior of these systems are sufficiently specialized for them to merit a separate discussion viz:
1 TYPES OF BIOLOGICAL SEPARATION
1.1 Whole-Organism Case
1.2 Part-Cell Separations
1.3 Isolation of Individual Molecular Species
2 SETTING ABOUT DEVISING AN EFFECTIVE
PROCESS FOR SEPARATION OF A BIOLOGICAL MATERIAL
2.1 Whole-Organism Case
2.1.1 Characterization of Biopolymers in the Liquor
2.1.2 Release of Internal Water
2.2 Part -Cell Separations
2.2.1 Selectivity
2.2.2 Cost
2.3 Isolation of Individual Molecular Species
3 Examples
3.1 Effective Design and Operation of a Process for Harvesting of Single Cell Protein
3.2 Harvesting of Mycoprotein for Human Consumption
3.3 Thickening of a Filamentous Organism Suspension
3.4 Separation of Poly-3-hydroxybutyrate Polymer (PHB) from Alcaligenes Eutrophus Biomass
3.5 Isolation of Organic Acid Produced by an Enzymatic Process
4 REFERENCES
Table
Figures
Integration of Special Purpose Centrifugal Pumps into a ProcessGerard B. Hawkins
Integration of Special Purpose Centrifugal Pumps into a Process
CONTENTS
1 SCOPE
2 PRELIMINARY CHOICE OF PUMP
SECTION A - INLET CONDITIONS
Al Calculation of Basic Nett Positive Suction Head (NPSH)
A2 Correction to Basic NPSH for Temperature Rise at Pump Inlet
A3 Correction to Basic NPSH for Acceleration Head
A4 Calculation of Available NPSH
A5 Correction to NPSH for Fluid Properties
A6 Calculation of Suction Specific Speed
A7 Priming
A8 Submergence
SECTION B – FLOW / HEAD RATING SEQUENCE
B1 Calculation of Static Head
B2 Calculation of Margins for Control
B3 Calculation of Q-H Duty
B4 Stability and Parallel Operation
B5 Corrections to Q-H Duty for Fluid Properties
B6 Guide to Pump Type and Speed
SECTION C – DRIVER POWER RATING
C1 Estimation of Pump Efficiency
C2 Calculation of Absorbed Power
C3 Calculation of Driver Power Rating
C4 Preliminary Power Ratings of Electric Motors
C5 Starting Conditions for Electric Motors
C6 Reverse Flow and Reverse Rotation
SECTION D - CASING PRESSURE RATING
D1 Calculation of Maximum Inlet Pressure
D2 Calculation of Differential Pressure
D3 Pressure Waves
D4 Pressure due to Liquid Thermal Expansion
D5 Casing Hydrostatic Test Pressure
SECTION E – SEALING CONSIDERATIONS
E1 Preliminary Choice of Seal
E2 Fluid Attributes
E3 Definition of Flushing Arrangements
APPENDICES
A RELIABILITY CLASSIFICATION
B SYMBOLS AND PREFERRED UNITS
DOCUMENTS REFERRED TO IN THIS ENGINEERING DESIGN GUIDE
The document provides a procedure for reducing steam reforming catalysts using LPG feed instead of the preferred hydrogen or natural gas. It cautions that LPG reduction carries risks of carbon formation and requires close monitoring and control of steam to carbon ratios. The 11-step procedure involves purging oxygen, heating with steam, gradually introducing LPG at 5-10% of design rate while maintaining steam to carbon ratios of 30:1 to 7:1, and slowly ramping up LPG to design rates over 12-24 hours to fully reduce the catalyst. Frequent monitoring is needed to check for complete reduction and prevent carbon formation.
In-Situ Oxidation Procedure for High and Low Temperature Shift CatalystsGerard B. Hawkins
GBH Enterprises provides a 7-step procedure for the in-situ oxidation of high and low temperature shift catalysts prior to removal from the system. The procedure involves purging combustibles, cooling the catalyst beds, metering in air at increasing rates, and monitoring temperatures until oxidation is complete, estimated at 12 hours. The process allows for the controlled oxidation and safe discharge of the catalysts.
Fixed Bed Reactor Scale-up Checklist
The purpose of this checklist is to identify the stages and potential problems associated with the scale up of fixed bed reactors from the drawing board to the full scale plant, and to determine how they should be checked.
The checking can be done using various methods. These are:
• Literature data.
• Lab testing.
• Calculation.
• Modeling.
• Semi-tech testing.
• Piloting or Sidestream testing.
Identifying the stages that need to be addressed for a particular catalyst/reactor development will help in estimating the time needed for the development of the reactor
Heating and Cooling of Batch Processes
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
3.1 units
4 STATEMENT OF THE PROBLEM
5 DEVELOPMENT OF THE METHOD
5.1 Assumptions
5.2 Basic Equations
6 APPLICATION OF THE METHOD
6.1 Determining the Behavior of an Existing System
6.2 Specifying the Heat Transfer Duty for a New System
APPENDICES
A DERIVATION OF THE EQUATIONS
B WORKED EXAMPLES
FIGURES
1 CASES CONSIDERED
Determination of Inert Gas in Anhydrous Ammonia
ANHYDROUS AMMONIA: DETERMINATION OF INERT GASES
SCOPE AND FIELD OF APPLICATION
This packed-column GC method is suitable for the determination of hydrogen, nitrogen, oxygen, argon and carbon monoxide in anhydrous ammonia. The determinations of the gases are linear in the range O-100 ppm v/v.
Reactor and Catalyst Design
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 CATALYST DESIGN
4.1 Equivalent Pellet Diameter
4.2 Voidage
4.3 Pellet Density
5 REACTOR DESIGN
6 CATALYST SUPPORT
6.1 Choice of Support
TABLES
1 CATALYST SUPPORT SHAPES
2 SECONDARY REFORMER SPREADSHEET
FIGURES
1 GRAPH OF EFFECTIVENESS v THIELE MODULUS
2 VARIATION OF COSTS WITH CATALYST SIZE
3 VARIATION OF COSTS WITH CATALYST BED VOIDAGE
4 VARIATION OF COSTS WITH VESSEL DIAMETER
TEMPERATURE MEASUREMENT:
RESISTANCE ELEMENTS AND THERMOCOUPLES
SPECIFICATION OF FUNCTION
DESCRIPTION OF FLUID
NORMAL OPERATING TEMPERATURE
REQUIRED TEMPERATURE RANGE
ALARM SETTINGS
TRIP SETTINGS
FLUID VELOCITY
REYNOLDS NUMBER
LINE SIZE
LINE REFERENCE
EQUIPMENT REFERENCE
NOZZLE SIZE
MINIMUM DESIGN PRESSURE
CORRESPONDING TEMPERATURE
MAXIMUM DESIGN PRESSURE
CORRESPONDING TEMPERATURE
Chemical Process Conception
0 INTRODUCTION / PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 PRODUCT STRATEGY
4.1 General
4.2 Market for the Product
4.3 Production Costs
4.4 Process Technology
5 PRELIMINARY PROCESS INFORMATION
6 REACTION AND REACTOR
6.1 Batch vs Continuous
6.2 Multiple Reactors
7 RECYCLE
7.1 Recycle Structure
7.2 Classification of Chemicals
7.3 Effect of Recycle
7.4 Preliminary Estimation of Conversion
8 REACTOR TYPE AND PERFORMANCE
8.1 Conversion-Yield Effects
8.2 Heat Effects
8.3 Equilibrium Effects
8.4 Kinetic Effects
8.5 More Help with Reactor Design
9 SEPARATION SYSTEM
10 REVIEW
11 BIBLIOGRAPHY AND REFERENCES
11.1 Preliminary Flowsheeting
11.2 Physical Properties
11.3 Reactors
11.4 Separation
11.5 Costing
APPENDICES
A BASIC REACTOR SYSTEM DESIGN
B DISCUSSION BETWEEN A CHEMIST AND A
CHEMICAL ENGINEER
C BASIC SEPARATION STRATEGY
TABLES
1 CLASSIFICATION OF MATERIALS
FIGURES
1 FLOWCHART OF THE ITERATIVE PROCEDURE REQUIRED IN PROCESS AND PRODUCT SELECTION AND DEVELOPMENT
BENFIELD LIQUOR:Determination of Diethanolamine Using an Auto TitratorGerard B. Hawkins
BENFIELD LIQUOR:Determination of Diethanolamine Using an Auto Titrator
1 SCOPE AND FIELD OF APPLICATION
This method is suitable for the determination of diethanolamine in Benfield Liquor.
2 PRINCIPLE
Diethanolamine is converted quantitatively into ammonia by boiling in the presence of sulfuric acid and copper sulfate. The ammonia is distilled from an alkaline medium and absorbed into boric acid. The solution is titrated with standard acid.
Low Temperature Shift Catalyst Reduction Procedure
VSG-C111 as supplied contains copper oxide; it is activated for the low temperature shift duty by reducing the copper oxide component to metallic copper with hydrogen. The reaction is highly exothermic. In order to achieve maximum activity, good performance and long life, it is essential that the reduction is conducted under correctly controlled conditions. Great care must be taken to avoid thermal damage during this critical operation.
SYNGAS CONDITIONING UNIT FEASIBILITY CASE STUDY: COAL-TO-LIQUIDSGerard B. Hawkins
SYNGAS CONDITIONING UNIT FEASIBILITY CASE STUDY: COAL-TO-LIQUIDS
Case Study: #0953616GB/H
HT SHIFT REACTOR CATALYST SPECIFICATION
Process Specification
This process duty specification refers to a Syngas Conditioning Unit which utilizes HT Shift reaction technology on a slip stream of raw gas to produce a recombined gas stream with a H2:CO ratio of 1.57:1. This is an important consideration as the Shift reactor is not required to minimize CO at outlet, and this specification refers to the expected performance that can be achieved in a single stage reactor scheme.
The Syngas Conditioning Unit is part of a proposed coal-to-liquids complex in which synthesis gas is produced by gasification of coal for downstream processing in a Fischer Tropsch reactor and Hydrocracker unit.
The document contains a list of typical process equipment used in reforming and catalyst regeneration sections of a refinery, including reactors, columns, vessels, furnaces, heat exchangers, pumps, compressors and blowers. It also provides comparisons of different reforming processes and their key parameters such as RON, reaction pressure, LHSV, H2/HC ratio, yield and cycle length. Finally, it summarizes the assessment of a recommended process/technology for criteria such as performance, reliability, safety, costs and flexibility.
Reactor Arrangement for Continuous Vapor Phase ChlorinationGerard B. Hawkins
Reactor Arrangement for Continuous Vapor Phase Chlorination
CONTENTS
1 BACKGROUND
2 REACTOR
3 CHEMICAL SYSTEM
4 PROCESS CHEMISTRY
5 KINETICS EXPERIMENTS AND MODELING
6 INTERPRETATION OF KINETICS INFORMATION
7 OPERATING CONDITIONS AND REACTOR DESIGN
8 REACTOR STABILITY AND CONTROL
FIGURES
1 POSTULATED REACTION PATHS FOR PROGRESSIVE CHLORINATION OF B-PICOLINE 3
2 CHLORINATION OF b-PICOLINE: MODEL PREDICTIONS OF PRODUCT DISTRIBUTION IN FULLY-MIXED REACTOR
3 TWO-STAGE REACTOR: RATE OF CHLORINATION OF b-PICOLINE
DOCUMENTS REFERRED TO IN THIS PROCESS ENGINEERING GUIDE
The Design and Layout of Vertical Thermosyphon ReboilersGerard B. Hawkins
The Design and Layout of Vertical Thermosyphon Reboilers
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 THE DESIGN PROBLEM
5 COMPUTER PROGRAMS
6 GENERAL CONSIDERATIONS
6.1 Heating Medium Temperature
6.2 Fouling Resistance
7 DESIGN PARAMETERS
7.1 Overall Arrangement and Specifications
7.2 Geometry Elements
8 ANALYSIS OF COMMERCIALLY AVAILABLE
PROGRAM RESULTS
8.1 Main Results
8.2 Supplementary Results
8.3 Error Analysis
8.4 Adjustments to Design
9 OPERATING RANGE
10 CONTROL
10.1 Control of Condensing Heating Medium Pressure
10.2 Control of The Condensate Level
10.3 Control of Sensible Fluid Flow Rate
11 LAYOUT
11.1 Factors Influencing Design
11.2 A Standard Layout
12 BIBLIOGRAPHY
0 INTRODUCTION
The four main sources of Fugitive Emissions on most plants are valves, machine seals, re-makable joints and pressure relief devices. Other possible sources include open-ended lines, sampling connections, drains and vents.
Sometimes special precautions are taken to minimize Fugitive Emissions, for example the use of bellows seal valves. However, generally no special precautions are taken and the subsequent Fugitive Emissions to atmosphere represent a significant amount of plant losses.
Regulatory requirements covering Fugitive Emissions exist in many countries and therefore a leak reduction program should be implemented. Fugitive Emissions also represent financial losses to the business as well as potential damage to the environment.
GBH Enterprises provides activated carbon regeneration services for refineries using a multi-step air-steam process. The process involves slowly depressurizing the carbon bed, applying steam to desorb contaminants, then introducing increments of air up to 5000 ppm to burn off remaining contaminants. Temperature and oxygen levels are monitored throughout to ensure safe regeneration of the activated carbon for reuse in purification processes.
Naphtha Steam Reforming Catalyst Reduction with MethanolGerard B. Hawkins
Procedure for Naphtha Steam Reforming Catalyst Reduction with Methanol
Scope
This procedure applies to the in situ reduction of VULCAN Series steam reforming catalysts using methanol cracking to form hydrogen over the catalyst in the steam reformer.
The procedure is likely to be applied to plants using only heavier feeds (e.g.: LPG and/or naphtha) and some combination of VULCAN Series catalysts.
Introduction
A small number of steam reforming plants do not have an available source of the commonly used reducing media (e.g.: hydrogen, hydrogen-rich off-gas, natural gas). These plants will usually operate on LPG and/or naphtha feed only where cracking of this hydrocarbon is not usually advised for reduction of the steam reforming catalyst ...
Biological Systems: A Special Case
Up till now we have discussed various aspects of the separation and processing of fine solids without too much reference (except in the examples) to the specifics of the properties of the materials concerned. Though the material properties are the dominant influence on efficient process design and operation, it has been postulated that the necessary characteristics for process selection and optimization can be found fairly readily using easily-applicable rheological and other techniques. This underlying assumption also seems to hold good for biological suspensions; however, certain aspects of the behavior of these systems are sufficiently specialized for them to merit a separate discussion viz:
1 TYPES OF BIOLOGICAL SEPARATION
1.1 Whole-Organism Case
1.2 Part-Cell Separations
1.3 Isolation of Individual Molecular Species
2 SETTING ABOUT DEVISING AN EFFECTIVE
PROCESS FOR SEPARATION OF A BIOLOGICAL MATERIAL
2.1 Whole-Organism Case
2.1.1 Characterization of Biopolymers in the Liquor
2.1.2 Release of Internal Water
2.2 Part -Cell Separations
2.2.1 Selectivity
2.2.2 Cost
2.3 Isolation of Individual Molecular Species
3 Examples
3.1 Effective Design and Operation of a Process for Harvesting of Single Cell Protein
3.2 Harvesting of Mycoprotein for Human Consumption
3.3 Thickening of a Filamentous Organism Suspension
3.4 Separation of Poly-3-hydroxybutyrate Polymer (PHB) from Alcaligenes Eutrophus Biomass
3.5 Isolation of Organic Acid Produced by an Enzymatic Process
4 REFERENCES
Table
Figures
Integration of Special Purpose Centrifugal Pumps into a ProcessGerard B. Hawkins
Integration of Special Purpose Centrifugal Pumps into a Process
CONTENTS
1 SCOPE
2 PRELIMINARY CHOICE OF PUMP
SECTION A - INLET CONDITIONS
Al Calculation of Basic Nett Positive Suction Head (NPSH)
A2 Correction to Basic NPSH for Temperature Rise at Pump Inlet
A3 Correction to Basic NPSH for Acceleration Head
A4 Calculation of Available NPSH
A5 Correction to NPSH for Fluid Properties
A6 Calculation of Suction Specific Speed
A7 Priming
A8 Submergence
SECTION B – FLOW / HEAD RATING SEQUENCE
B1 Calculation of Static Head
B2 Calculation of Margins for Control
B3 Calculation of Q-H Duty
B4 Stability and Parallel Operation
B5 Corrections to Q-H Duty for Fluid Properties
B6 Guide to Pump Type and Speed
SECTION C – DRIVER POWER RATING
C1 Estimation of Pump Efficiency
C2 Calculation of Absorbed Power
C3 Calculation of Driver Power Rating
C4 Preliminary Power Ratings of Electric Motors
C5 Starting Conditions for Electric Motors
C6 Reverse Flow and Reverse Rotation
SECTION D - CASING PRESSURE RATING
D1 Calculation of Maximum Inlet Pressure
D2 Calculation of Differential Pressure
D3 Pressure Waves
D4 Pressure due to Liquid Thermal Expansion
D5 Casing Hydrostatic Test Pressure
SECTION E – SEALING CONSIDERATIONS
E1 Preliminary Choice of Seal
E2 Fluid Attributes
E3 Definition of Flushing Arrangements
APPENDICES
A RELIABILITY CLASSIFICATION
B SYMBOLS AND PREFERRED UNITS
DOCUMENTS REFERRED TO IN THIS ENGINEERING DESIGN GUIDE
The document provides a procedure for reducing steam reforming catalysts using LPG feed instead of the preferred hydrogen or natural gas. It cautions that LPG reduction carries risks of carbon formation and requires close monitoring and control of steam to carbon ratios. The 11-step procedure involves purging oxygen, heating with steam, gradually introducing LPG at 5-10% of design rate while maintaining steam to carbon ratios of 30:1 to 7:1, and slowly ramping up LPG to design rates over 12-24 hours to fully reduce the catalyst. Frequent monitoring is needed to check for complete reduction and prevent carbon formation.
In-Situ Oxidation Procedure for High and Low Temperature Shift CatalystsGerard B. Hawkins
GBH Enterprises provides a 7-step procedure for the in-situ oxidation of high and low temperature shift catalysts prior to removal from the system. The procedure involves purging combustibles, cooling the catalyst beds, metering in air at increasing rates, and monitoring temperatures until oxidation is complete, estimated at 12 hours. The process allows for the controlled oxidation and safe discharge of the catalysts.
Fixed Bed Reactor Scale-up Checklist
The purpose of this checklist is to identify the stages and potential problems associated with the scale up of fixed bed reactors from the drawing board to the full scale plant, and to determine how they should be checked.
The checking can be done using various methods. These are:
• Literature data.
• Lab testing.
• Calculation.
• Modeling.
• Semi-tech testing.
• Piloting or Sidestream testing.
Identifying the stages that need to be addressed for a particular catalyst/reactor development will help in estimating the time needed for the development of the reactor
Heating and Cooling of Batch Processes
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
3.1 units
4 STATEMENT OF THE PROBLEM
5 DEVELOPMENT OF THE METHOD
5.1 Assumptions
5.2 Basic Equations
6 APPLICATION OF THE METHOD
6.1 Determining the Behavior of an Existing System
6.2 Specifying the Heat Transfer Duty for a New System
APPENDICES
A DERIVATION OF THE EQUATIONS
B WORKED EXAMPLES
FIGURES
1 CASES CONSIDERED
Determination of Inert Gas in Anhydrous Ammonia
ANHYDROUS AMMONIA: DETERMINATION OF INERT GASES
SCOPE AND FIELD OF APPLICATION
This packed-column GC method is suitable for the determination of hydrogen, nitrogen, oxygen, argon and carbon monoxide in anhydrous ammonia. The determinations of the gases are linear in the range O-100 ppm v/v.
Reactor and Catalyst Design
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 CATALYST DESIGN
4.1 Equivalent Pellet Diameter
4.2 Voidage
4.3 Pellet Density
5 REACTOR DESIGN
6 CATALYST SUPPORT
6.1 Choice of Support
TABLES
1 CATALYST SUPPORT SHAPES
2 SECONDARY REFORMER SPREADSHEET
FIGURES
1 GRAPH OF EFFECTIVENESS v THIELE MODULUS
2 VARIATION OF COSTS WITH CATALYST SIZE
3 VARIATION OF COSTS WITH CATALYST BED VOIDAGE
4 VARIATION OF COSTS WITH VESSEL DIAMETER
TEMPERATURE MEASUREMENT:
RESISTANCE ELEMENTS AND THERMOCOUPLES
SPECIFICATION OF FUNCTION
DESCRIPTION OF FLUID
NORMAL OPERATING TEMPERATURE
REQUIRED TEMPERATURE RANGE
ALARM SETTINGS
TRIP SETTINGS
FLUID VELOCITY
REYNOLDS NUMBER
LINE SIZE
LINE REFERENCE
EQUIPMENT REFERENCE
NOZZLE SIZE
MINIMUM DESIGN PRESSURE
CORRESPONDING TEMPERATURE
MAXIMUM DESIGN PRESSURE
CORRESPONDING TEMPERATURE
Chemical Process Conception
0 INTRODUCTION / PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 PRODUCT STRATEGY
4.1 General
4.2 Market for the Product
4.3 Production Costs
4.4 Process Technology
5 PRELIMINARY PROCESS INFORMATION
6 REACTION AND REACTOR
6.1 Batch vs Continuous
6.2 Multiple Reactors
7 RECYCLE
7.1 Recycle Structure
7.2 Classification of Chemicals
7.3 Effect of Recycle
7.4 Preliminary Estimation of Conversion
8 REACTOR TYPE AND PERFORMANCE
8.1 Conversion-Yield Effects
8.2 Heat Effects
8.3 Equilibrium Effects
8.4 Kinetic Effects
8.5 More Help with Reactor Design
9 SEPARATION SYSTEM
10 REVIEW
11 BIBLIOGRAPHY AND REFERENCES
11.1 Preliminary Flowsheeting
11.2 Physical Properties
11.3 Reactors
11.4 Separation
11.5 Costing
APPENDICES
A BASIC REACTOR SYSTEM DESIGN
B DISCUSSION BETWEEN A CHEMIST AND A
CHEMICAL ENGINEER
C BASIC SEPARATION STRATEGY
TABLES
1 CLASSIFICATION OF MATERIALS
FIGURES
1 FLOWCHART OF THE ITERATIVE PROCEDURE REQUIRED IN PROCESS AND PRODUCT SELECTION AND DEVELOPMENT
BENFIELD LIQUOR:Determination of Diethanolamine Using an Auto TitratorGerard B. Hawkins
BENFIELD LIQUOR:Determination of Diethanolamine Using an Auto Titrator
1 SCOPE AND FIELD OF APPLICATION
This method is suitable for the determination of diethanolamine in Benfield Liquor.
2 PRINCIPLE
Diethanolamine is converted quantitatively into ammonia by boiling in the presence of sulfuric acid and copper sulfate. The ammonia is distilled from an alkaline medium and absorbed into boric acid. The solution is titrated with standard acid.
BENFIELD LIQUOR: DETERMINATION OF IRON
SCOPE AND FIELD OF APPLICATION
This method is suitable for the determination of the total iron in Benfield liquor samples up to a concentration of approximately 100 ppm m/v.
Other Separations Techniques for Suspensions
PRESSURE-DRIVEN MEMBRANE SEPARATION
PROCESSES
1.1 INTRODUCTION
1.2 MEMBRANES
1.3 OPERATION
1.4 FACTORS AFFECTING PERFORMANCE
1.4.1 Polarization / Fouling
1.4.2 Pressure
1.4.3 Crossflow
1.4.4 Temperature
1.4.5 Concentration
1.4.6 Membrane Pore Size
1.4.7 Particle Size
1.4.8 Particle Charge
1.4.9 Other Factors
1.5 ADVANTAGES / LIMITATIONS
1.6 SUMMARY OF SYMBOLS USED
2 ELECTRO-DIALYSIS
2.1 INTRODUCTION
2.2 EQUIPMENT
2.3 IMPORTANT PARAMETERS IN ED
2.4 EXAMPLES
3 ELECTRODEWATERING AND ELECTRODECANTATION
3.1 INTRODUCTION
3.2 PRINCIPLES AND OPERATION
3.3 EQUIPMENT AND OPERATING PARAMETERS
3.4 EXAMPLES
4 MAGNETIC SEPARATION METHODS
5 REFERENCES
FIGURES
1 APPLICATION RANGES FOR MEMBRANE SEPARATION TECHNIQUES
2 SIMPLE UF / CMF RIG
4 FLUX VERSUS PRESSURE
5 ELECTRODIALYSIS PROCESS
6 ELECTRODIALYSIS PLANT FOR BATCH PROCESS
7 DEPENDENCE OF MEMBRANE AREA AND ENERGY ON
CURRENT DENSITY
8 DIFFUSION ACROSS THE BOUNDARY LAYER
Determination of Argon in Ammonia Plant Process Gas Streams by Gas Chromatogr...Gerard B. Hawkins
Determination of Argon in Ammonia Plant Process Gas Streams by Gas Chromatography
SCOPE AND FIELD OF APPLICATION
This document is a method for the determination of argon in process gas streams in the range 0-10% v/v.
Process Synthesis
INTRODUCTION
1 A SUGGESTED GENERAL APPROACH
2 EXAMPLES OF PROCESS SELECTION
2.1 Harvesting and Thickening of Single Cell Protein
2.2 Dewatering of a Specialty Latex
3 REFERENCES
TABLES
1 THE ADVANTAGES AND DISADVANTAGES OF DIFFERENT RANGE OF PH FOR “PROTEIN” ORGANISM FLOCCULATION
2 THE ADVANTAGES AND DISADVANTAGES OF VARYING EXTENTS OF CELL BREAKAGES
3 PREDICTED AND OBSERVED FILTER CAKE SOLIDS CONTENTS FOR THE VARIOUS LATICES AFTER COAGULATION
FIGURES
1 THE “PROTEIN” BACTERIAL HARVESTING SYSTEM
2 PROCESS FOR MANUFACTURE OF CALCIUM CARBONATE FILTERS
3 H-ACID ISOLATION
4 A SUGGESTED APPROACH TO DETERMINING FEASIBLE PROCESS OPTIONS, AND OPERATING CONDITIONS FOR SEPARATION OF FINE SOLIDS FROM SUSPENSION
5 MODULI VERSUS SOLIDS CONTENT FORTYPICAL FORWARD FLOCCULATED “PROTEIN” SUSPENSIONS
6 DECISION TREE FOR SELECTION OF AS1 HARVESTING CONDITIONS WHEN PRINCIPAL CONSTRAINT CONCERNS THE DEGREE OF THICKENING REQUIRED IN THE CONCENTRATE
7 DECISION TREE FOR SELECTION OF AS1 HARVESTING CONDITIONS WHEN PRINCIPAL CONSTRAINT CONCERNS THE USE OF FLOTATION AS A UNIT OPERATION FOR THICKENING
8 DECISION TREE FOR SELECTION OF AS1 HARVESTING CONDITIONS WHEN PRINCIPAL CONSTRAINT CONCERNS THE QUALITY OF THE RECYCLED LIQUOR
9 MODULUS SOLIDS CONTENT CURVES FOR THEVARIOUS COAGULATED LATICES
Determination of Carbon Dioxide, Ethane And Nitrogen in Natural Gas by Gas C...Gerard B. Hawkins
Determination of Carbon Dioxide, Ethane
And Nitrogen in Natural Gas by Gas Chromatography
1 SCOPE AND FIELD OF APPLICATION
This document is a method for the determination of carbon dioxide, ethane and nitrogen in natural gas in the range 0-10% v/v.
2 PRINCIPLE
The gas sample will be injected automatically by a ten port valve onto the poraplot U column. The nitrogen will elute first and be switched to the mole sieve column. The mole sieve column will be isolated and the poraplot column will elute the carbon dioxide and ethane via a restrictor column to the detector. After the elution of the carbon dioxide and ethane the poraplot column will be back flushed. Then the nitrogen will be allowed to elute from the mole sieve column (see figure 1.) ...
Determination of Hydrocarbons in Anhydrous Ammonia By Gas ChromatographyGerard B. Hawkins
Determination of Hydrocarbons in Anhydrous Ammonia By Gas Chromatography
SCOPE AND FIELD OF APPLICATION
The method is suitable for the determination of hydrocarbons from C1 to C4 (see 6.4.2) in gaseous ammonia, or in mixtures of ammonia and air. It is valid for concentrations in the range 10-10000 ppm.
The method may be used for the analysis of the atmosphere from a ships hold After purging with ammonia and for the analysis of gasified liquid anhydrous ammonia during or after loading. In these cases, hydrocarbon contamination may arise from the previous cargo of the vessel, the nature of which should be ascertained prior to carrying out the analysis
Carbon Formation in Mixed Feed Preheat Coils:
Maximum Mixed Feed Pre-heat Temperature
What follows is a crude but effective routine, which evaluates the maximum possible temperature allowable to prevent excessive carbon laydown in the mixed feed pre-heat coils.
Determination of Residue and Oil in Anhydrous AmmoniaGerard B. Hawkins
Plant Analytical Techniques
Determination of Residue and Oil in Anhydrous Ammonia
This method is suitable for the determination of residue and oil in anhydrous ammonia.
FIELD OF APPLICATION
This method may be applied to standard and premium grade anhydrous ammonia having residue content in the range 10-5000 micrograms per gram and oil content in the range l-500 micrograms per gram
Determination of Residue on Evaporation in Anhydrous AmmoniaGerard B. Hawkins
Determination of Residue on Evaporation in Anhydrous Ammonia
1 SCOPE AND FIELD OF APPLICATION
This method is suitable for the determination of the residue left after evaporation i.e., the non-volatile material in ammonia solution.
2 PRINCIPLE
A known weight of sample is evaporated to dryness in a platinum dish on a steam bath. The increase in mass of the dish is measured.
Determination of Anions by Ion Chromatography
1 SCOPE AND FIELD OF APPLICATION
This method is suitable for the determination of inorganic anions in Ammonia Solution in the range 100 ppb to 50 ppm m/v.
2 PRINCIPLE
The sample is passed through a column of anion exchange resin, on which the anions are absorbed and separated. They are then eluted with dilute sodium carbonate/sodium hydrogen carbonate solution and passed through a suppressor. This replaces the cations with hydrogen ions and thus reduces the background conductivity of the eluent. Final measurement is by conductivity
Study 1: Concept Hazard Review
CONTENTS
1.0 PURPOSE
1.0.1 Team
1.0.2 Timing
1.0.3 Preparation
1.0.4 Documentation
HAZARD STUDY 1: APPLICATION
1.1 Project Definition
1.2 Process Description
1.3 Materials Hazards
1.4 External Authorities
1.5 Organization and Human Factors
1.6 Additional Activities to be Completed
1.7 Review of Hazard Study 1
APPENDICES
A Chemical Hazard Guide Diagram
B Safety Risk Criteria - Limit Values for Tolerable Risk
C List of Additional Assessments
Application of Process to Management of Change and ModificationsGerard B. Hawkins
Application of Process to Management of Change and Modifications
Hazard Study Process: GBHE-PGP-006
CONTENTS
1.0 PURPOSE
1.1 THE NEED FOR MODIFICATIONS
1.2 GENERAL DESCRIPTION OF A MODIFICATION
1.3 PRINCIPLES TO BE FOLLOWED
1.4 REPLACEMENT OF ’LIKE WITH LIKE’
1.5 REMOTE / SMALLER SITES
1.6 GENERAL GUIDANCE TO INDIVIDUALS DOING SHE ASSESSMENTS FOR MODIFICATIONS
1.7 MODIFICATIONS HAZARD STUDY DECISION MECHANISM
1.7.1 Purpose
1.7.2 Methodology
FIGURE 1 MODIFICATION FLOWCHART
M1 Title, description, registration and process flowsheet
Gate 1 Preliminary authorization
Table 1 Difference between a Modification and a Project
M2 Risk Assessment
Gate 2 Approval
M3 Detailed design and implementation
Gate 3 Pre-Commissioning check
M4 Commissioning
Gate 4 Commissioned
M5 Final review and file
APPENDIX
APPENDIX A CHECKLIST FOR MODIFICATIONS
APPENDIX B DOCUMENTATION PROMPT LIST
APPENDIX C TYPICAL MODIFICATION FORM
G1 PRELIMINARY AUTHORIZATION
M2 PRELIMINARY SSHE ASSESSMENT
G2 REVIEW PRELIMINARY SSHE ASSESSMENT
M3 DESIGN and ESTIMATION
SSHE ASSESSMENT
G3 APPROVAL
M4 DETAILED DESIGN AND IMPLEMENTATION
G4 PRE-COMMISSIONING CHECK
M5 COMMISSIONING
G5 COMMISSIONED
M6 FINAL REVIEW AND FILE
GE / Texaco Gasifier Feed to a Lurgi Methanol Plant and its Effect on Methano...Gerard B. Hawkins
GE / Texaco Gasifier Feed to a Lurgi Methanol Plant and its Effect on Methanol Production
CONTENTS
0 Methanol Synthesis Introduction
1 Executive Summary
2 Design Basis
2.1.1 Train I Design Basis
2.1.2 Train II Design Basis
2.1.3 Train III Design Basis
2.2 Design Philosophy
2.2.1 Operability Review
2.3 Assumptions
2.4 Train IV Flowsheet
2.4.1 CO2 Removal
3 Discussion
3.1 Natural Gas Consumption Figures
3.1.1 Base Case
3.1.2 Case 1 – Coal Gasification in Service
3.1.3 Case 2 – Coal Gasification in Service – No CO2 Export
3.2 Methanol Production Figures
3.2.1 Base Case
3.2.2 Case 1 – Coal Gasification in Service
3.2.3 Case 2 – Coal Gasification in Service – No CO2 Export
3.3 85% Natural Gas Availability
3.4 100% Natural Gas Availability
3.5 CO2 Emissions
3.5.1 Base Case
3.5.2 Case 1 – Coal Gasification in Service
3.5.3 Case 2 – Coal Gasification in Service – No CO2 Export
3.6 Specific Consumption Figures
3.6.1 Base Case
3.6.2 Case 1 – Coal Gasification and CO2 Import
3.6.3 Case 2 – Coal Gasification and No CO2 Import
3.7 Train IV Synthesis Gas Composition
4 Further Work
5 Conclusion
APPENDIX
Important Stream Data – Material Balance Stream Data
Texaco Gasifier with HP Steam Raising Boiler
CHARACTERISTICS OF COAL
Material Balance Considerations
Hydrogen Plant Flowsheet - Effects of Low Steam RatioGerard B. Hawkins
Effect of Low Steam Ratio on the Steam Reformer
Effect of Low Steam Ratio on H T Shift & PSA
Effect of Low Steam Ratio on Gross Efficiency
Effect of Low Steam Ratio on Net Efficiency
Alternative schemes for improving heat recovery
STEAMING PROCEDURE FOR VULCAN STEAM REFORMING CATALYSTSGerard B. Hawkins
The document discusses procedures for steaming Vulcan steam reforming catalysts to recover from sulfur poisoning and carbon formation incidents. It describes maintaining steam flow at 30-40% of design levels and an outlet temperature above 780°C. Gas samples should be taken hourly to monitor CO2, CH4, H2S and SO2. Steaming is complete when CO2 levels stabilize over 2-3 samples after increasing the temperature. The process typically takes 12-24 hours to complete and closely monitors pressure drop and tube conditions. After steaming, the catalyst requires reduction before restarting hydrocarbon feed.
Physical properties and thermochemistry for reactor technologyGerard B. Hawkins
Physical Properties and Thermochemistry for Reactor Technology
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 PHYSICAL PROPERTIES
4.1 Form of Equations
4.2 The Physical Property System: “The VAULT”
4.3 Physical Property Programs
4.4 Physical Property Estimation
4.5 Sources of Expertise
5 INTERFACING COMPUTER PROGRAMS TO THE
GBHE VAULT PHYSICAL PROPERTIES PACKAGE
5.1 Preparation of the Physical Property Data
6 THERMOCHEMISTRY
6.1 Hess's Law
6.2 Standard States
6.3 Heats of Formation
6.4 Determination of Heats of Reaction
7 CALCULATION OF HEATS OF REACTION
7.1 Analogous Reactions
7.2 Heat of Formation Data Compilations
7.3 Estimation of Standard Heats of Formation
7.4 Heats of Neutralization
7.5 Temperature Effect on Heat of Reaction
8 HEATS OF SOLUTION, DILUTION AND MIXING
8.1 Calculation of Heats of Solution / Dilution from
Literature Data
8.2 Estimation of Heats of Solution and Mixing
8.3 Integral and Differential Heats
9 EXPERIMENTAL DETERMINATION OF
THERMOCHEMICAL PARAMETERS
9.1 Isoperibol Calorimetry for Heats of Reaction and Solution
9.2 Heat Flow Calorimetry
9.3 Adiabatic Calorimeter
9.4 Differential Scanning Calorimetry
10 COMPUTER CALCULATION OF ENTHALPY OR
TEMPERATURE
11 BIBLIOGRAPHY
Data Sources For Calculating Chemical Reaction EquilibriaGerard B. Hawkins
Data Sources For Calculating Chemical Reaction Equilibria
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 BACKGROUND TO THEORY
5 BIBLIOGRAPHY
Physical Properties for Heat Exchanger Design
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 COMPONENT PROPERTIES
4.1 General
4.2 Use of Component Properties for Mixtures
5 INPUT OF MIXTURE CURVES
5.1 General
5.2 Generation of the Mixture Curves
5.3 Selection of Temperature Points
5.4 Extrapolation
6 IMMISCIBLE CONDENSATES
FIGURES
1 TEMPERATURE POINTS SELECTED FOR EQUAL ENTHALPY CHANGE
2 TEMPERATURE POINTS SELECTED FOR GOOD
FIT TO CURVE
This document provides guidance on residence time distribution (RTD) data for process engineers. It discusses:
1) How RTD data measures mixing in reactors and can be used to model reactor performance.
2) Examples of how RTD data can model reactors for first and second order reactions, and the differences between micro and macromixing models.
3) Techniques for measuring RTD using radioactive tracers and modeling results based on the measured curves.
Turbulent Heat Transfer to Non Newtonian Fluids in Circular TubesGerard B. Hawkins
Turbulent Heat Transfer to Non Newtonian Fluids in Circular Tubes
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 THE INTEGRATION OF THE ENERGY EQUATION
5 THE EDDY VISCOSITY FOR NON-NEWTONIAN AND DRAG REDUCING FLUIDS
6 THE CALCULATION OF HEAT TRANSFER
COEFFICIENTS FOR NON-NEWTONIAN AND DRAG
REDUCING FLUIDS IN TURBULENT PIPE FLOW
6.1 General
6.2 Drag Reducing Fibre Suspensions
6.3 Transition Delay
7 NOMENCLATURE
8 BIBLIOGRAPHY
Shortcut Methods of Distillation Design
0 INTRODUCTION/PURPOSE
1 SCOPE
2 ESTIMATIONOF PLATEAGE AND REFLUX
REQUIREMENTS
2.1 Generalized Procedure for Nmin and Rmin
2.2 Equation based Procedure for Nmin and Rmin
3 PREDICTION OF OVERALL PLATE EFFICIENCY
4 SIZING OF MAIN PLANT ITEMS
4.1 Column Diameter
4.2 Surface Area of Condensers and Reboilers
FIGURES
1 NON-IDEAL EQUILIBRIUM CURVE
2 AT A GLANCE CHART BASED ON FENSKE,
UNDERWOOD
3 PLATE EFFICIENCY CORRELATION OF O’CONNEL
H - Acid Caustic Fusion Stage
CONTENTS
0 INTRODUCTION
1 DESIGN INFORMATION
1.1 Reactor Type
1.2 Temperature Range
1.3 Pressure Range
1.4 Chemical System
2 BACKGROUND
3 KINETICS AND MECHANISM
4 MAXIMUM YIELD AND IMPLICATIONS FOR REACTOR DESIGN
5 USE OF DESIGN MODEL FOR START-UP AND MANUFACTURING MONITORING
6 BIBLIOGRAPHY
FIGURES
1 FUSION MODEL OUTLINE MECHANISM AND KINETIC SCHEME
2 TEST RUN OPTIMIZATION OF HEATING TIME 3600 kg/h STEAM
OVERVIEW - FIXED BED ADSORBER DESIGN GUIDELINES
Fixed-bed adsorber design is based upon the following considerations:
• Adsorbent bed profile and media loading capacity characteristics for the specific application and adsorbent material used.
• Pressure drop characteristics across the adsorbent bed.
• Reaction kinetics.
Typically, adsorber design entails use of the following methodology:
• Adsorbent selection based upon performance and application information.
• Bed sizing based upon adsorbent loading data and service life requirements.
• Bed sizing adjustment based upon pressure drop criteria.
• Bed sizing adjustment based upon reaction kinetics criteria.
A discussion of each design consideration follows.
Gas Mixing
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 RECOMMENDATIONS FOR GAS MIXING:
PLUG FLOW
5 RECOMMENDATIONS FOR GAS MIXING:
BACKMIXED INITIAL ZONE
6 BIBLIOGRAPHY
SMR PRE-REFORMER DESIGN
Case Study #0618416GB/H
Contents
1. SMR Pre-Reformer Design
2. Inlet Baffle Design
3. Outlet Collector
4. Hold Down Grating
5. Floating Hold Down Screen
6. Catalyst Drop Out Nozzle
7. Thermowell Detail
8. Technical Performance requirements
9. SMR Pre-Reformer Isolation
Technical Review and Commentary on Proposed Design
APPENDIX
A. Operating / Mechanical Data
B. Materials Specifications
C. Fabrication and Inspection Requirements
D. Weights
E. Nozzle Data
F. Instrument Connections
G. Manholes
Design and Simulation of Continuous Distillation ColumnsGerard B. Hawkins
Design and Simulation of Continuous Distillation Columns
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 FRACTIONAL DISTILLATION
5 ROUGH METHOD OF COLUMN DESIGN
5.1 Sharp Separations
5.2 Sloppy Separations
6 DETAIL DESIGN USING THE CHEMCAD DISTILLATION PROGRAM
6.1 Sharp Separations
6.2 Sloppy Separations
7 COMPLEX COLUMNS
7.1 Multiple Feeds
7.2 Sidestream Take-Offs
8 DESIGN USING A LABORATORY COLUMN
SIMULATION
9 DESIGN USING ACTUAL PLANT DATA
9.1 Uprating or Debottlenecking Exercises
10 REFERENCES
APPENDICES
A WORKED EXAMPLE
B SLOPPY SEPARATIONS
C SIMULATION USING PLANT DATA : CASE HISTORIES
TABLES
Critical Variables in Catalytic Reforming and Unit Monitoring Best PracticesGerard B. Hawkins
This document discusses optimization strategies for catalytic reforming processes in oil refineries. It outlines best practices for identifying and monitoring critical variables, and provides examples of critical variables like catalyst activity and recycle gas composition. The document also discusses principles of reformer optimization like defining objectives, layered management practices, and optimizing operations. Overall it provides guidance on monitoring performance, catalyst management, and using online optimization to improve profitability of refinery catalytic reforming units.
(AGRU) ACID GAS SOUR SHIFT: CASE STUDY IN REFINERY GAS TREATMENTGerard B. Hawkins
(AGRU) ACID GAS SOUR SHIFT: CASE STUDY IN REFINERY GAS TREATMENT; Case Study: #0978766GB/H
CASE STUDY OVERVIEW
Syn Gas Sour Shift: Process Flow Diagram
AGR: Acid Gas to VULCAN SYSTEMS Sour Gas Shift
DESIGN BASIS:
ACID GAS REACTOR CATALYST SPECIFICATION
SOUR SHIFT CASE
SHIFT REACTOR CATALYST SPECIFICATIONS
COS REACTOR CATALYST SPECIFICATIONS
SWEET SHIFT CASE
SHIFT REACTOR CATALYST SPECIFICATIONS
PERFORMANCE SIMULATION RESULTS
SOUR SHIFT SECTION
1 Cases Considered
2 Catalyst Used
3 Client Requirements
4 Oxygen and Olefins
5 HCN
6 NH3
7 Arsine
8 Input Data Sour Shift Unit
9 Activity (PROPRIETARY)
10 Results
ADIABATIC SWEET SHIFT SECTION: HTS Reactor followed by LTS Reactor
1 Catalyst Used
2 Inlet Operating Temperature HTS Reactor
3 Feed Flow Rate, Inlet Operating Pressure and Feed Composition HTS Reactor
4 Inlet Operating Conditions LTS Reactor
5 Client Requirements
6 Results: Standard Case as Presented to the Client
7 Results: Inlet Operating Pressure HTS Reactor = 25.2 bara
8 Results: Addition of 100 kmol/h N2
COS HYDROLYSIS SECTION FOR SWEET SHIFT CASE
1 Total Feed Flow Rate, Feed Composition, Direction of Flow, Inlet Operating Temperature, Inlet Operating Pressure
2 Inlet H2S and COS Levels
3 Equilibrium H2S and COS Levels (COS Hydrolysis Reaction)
4 Client Requirements
5 Results
H2S REMOVAL SECTION AFTER AGR UNIT
(2 Absorbent Beds (VULCAN VSG-EZ200) in Lead/Lag Arrangement)
1 Total Feed Flow Rate, Feed Composition, Direction of Flow, Inlet Operating Temperature, Inlet Operating Pressure
2 Inlet H2S and COS Levels
3 Client Requirements (All Cases)
4 Results
ISOTHERMAL SWEET SHIFT SECTION: Alternative Approach
VULCAN Simulation Input Data
1 Enthalpy method
2 Cases considered
3 Feed stream data
4 Kinetics
5 Catalyst
6 Catalyst Activity relative to standard
7 Catalyst size and packing details
8 Catalyst pressure drop parameters
9 Catalyst Volume
10 Standard die-off rate
11 BFW Rate
12 Vapor fraction
13 Steam Temperature
14 Steam Pressure
15 Boiling Model
16 Volumetric UA
Isothermal Shift Simulations Results
APPENDIX
Characteristics of Acid Gas Removal Technologies
The Selective Oxidation of n-Butane to Maleic Anhydride in a Catalyst Packed ...Gerard B. Hawkins
The Selective Oxidation of n-Butane to Maleic Anhydride in a Catalyst Packed Tubular Reactor
CONTENTS
0 INTRODUCTION
1 n-BUTANE OXIDATION
2 REACTION KINETICS
3 HEAT AND MASS TRANSFER PARAMETERS
4 NON-ISOTHERMAL, NON-ADIABATIC REACTOR MODELING
5 USE OF THE REACTOR MODEL IN OPERABILITY AND DESIGN STUDIES
6 BIBLIOGRAPHY
7 NOMENCLATURE
Distillation Sequences, Complex Columns and Heat IntegrationGerard B. Hawkins
Distillation Sequences, Complex Columns and Heat Integration
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 SEQUENCING OF SIMPLE COLUMNS
4.1 Sidestream Columns
4.2 Multi-Feed Columns
5 SIMPLE COLUMN SEQUENCING AND HEAT
INTEGRATION INTERACTIONS
5.1 Energy Quantity and Quality
5.2 Heat Integration within the Total Flowsheet
6 COMPLEX COLUMN ARRANGEMENTS
6.1 Indirect Sequence with Vapor Link
6.2 Sidestream Systems
6.3 Pre-Fractionator Systems
7 COMPLEX COLUMNS AND HEAT INTEGRATION
INTERACTIONS
FIGURES
1 DIRECT AND INDIRECT SEQUENCES
2 A SINGLE SIDESTREAM COLUMN REPLACING 2
SIMPLE COLUMNS
3 A TYPICAL MULTI-FEED COLUMN
4 TYPICAL GRAND COMPOSITION CURVE
5 TYPICAL INDIRECT SEQUENCE WITH VAPOUR LINK
6 SIDESTREAM STRIPPER AND SIDESTREAM
RECTIFIER
7 SIMPLEST PRE-FRACTIONATOR SYSTEM
8 SIMPLEST PRE-FRACTIONATOR SYSTEM
9 PETLYUK COLUMN
Thermal Design Margins for Heat Exchangers
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 TERMINOLOGY
5 REASONS FOR SPECIFYING A DESIGN MARGIN
5.1 Instantaneous Rates
5.2 Future Uprating
5.3 Plant Upsets
5.4 Process Control
5.5 Uncertainties in Properties
5.6 Uncertainties in Design Methods
5.7 Fouling
6 COMBINATION OF DESIGN MARGINS
7 CRITICAL AND NON-CRITICAL DUTIES
7.1 General
7.2 Penalties of Over-design
8 OPTIMIZATION OF EXCHANGER DUTY
9 WAYS OF PROVIDING DESIGN MARGINS
9.1 The Provision of Excess Surface
9.2 Decreasing the Design Temperature Difference
9.3 Increasing the Design Process Throughput
9.4 Increasing the Design Fouling Resistance
9.5 Reducing the Design Process Outlet Temperature Approach
9.6 Adjusting the Physical Properties
10 ACCURACY OF THE DESIGN METHODS FOR SHELL AND TUBE EXCHANGERS
10.1 Pressure Drop
10.2 Heat Transfer
11 SUGGESTED DESIGN MARGINS
11.1 No Phase Change Duties
11.2 Condensers
11.3 Boilers
12 EFFECT OF UNDER- OR OVER-SURFACE ON PERFORMANCE
FIGURES
1 EFFECT OF LENGTH ON EXCHANGER DUTY COUNTERCURRENT FLOW, C* = 1.0
2 EFFECT OF NUMBER OF TUBES ON EXCHANGER PERFORMANCE COUNTERCURRENT FLOW, C* = 1.0, ALL RESISTANCE IN TUBES
3 EFFECT OF TUBE LENGTH ON NUMBER OF TUBES, AREA AND PRESSURE DROP
Psychrometry
0 INTRODUCTION / PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 PSYCHROMETRIC CHARTS
5 EXAMPLE CALCULATION
6 CHARTS FOR SPECIFIC SYSTEMS
7 BIBLIOGRAPHY
FIGURES
1 GROSVENOR CHART (Humidity vs. Temperature)
FOR AIR-WATER VAPOR AT 1.0133 bar
2 MOLLIER CHART (Enthalpy vs. Humidity) FOR
NITROGEN-TOLUENE VAPOR AT 100 kPa
Gas - Liquid Reactors
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 PRELIMINARY CONSIDERATIONS
4.1 Preliminary Equipment Selection
4.2 Equipment for Low Viscosity Liquids
4.3 Equipment for High Viscosity Liquids
5 REACTOR DESIGN
6 ESSENTIAL THEORY
6.1 Rate and Yield Determining Steps
6.2 Chemical and Physical Rates
6.3 Modification for Exothermic and Complex Reactions
6.4 Preliminary Selection of Reactor Type
7 EXPERIMENTAL DETERMINATION OF REGIME
7.1 Direct Measurement of Reaction Kinetics
7.2 Laboratory Gas-Liquid Reactor Experiments
8 EQUILIBRIUM AND DIFFUSIVITY DATA SOURCES
9 OVERALL EFFECTS
9.1 Liquid Flow Patterns
9.2 Scale of Mixing
9.3 Gas Flow Pattern : Mean Driving Force for Mass Transfer
9.4 Gas-Liquid Reactor Modeling
9.5 Heat Transfer
9.6 Materials of Construction
9.7 Foaming
10 FINAL CHOICE OF REACTOR TYPE
11 SCALE-UP AND SPECIFICATION OF GAS-LIQUID
REACTORS
11.1 Bubble Columns
11.2 Packed Columns
11.3 Trickle Beds
11.4 Plate or Tray Columns
11.5 Spray Columns
11.6 Wiped Film
11.7 Spinning Film Reactors
11.8 Stirred Vessels
11.9 Plunging Jet
11.10 Surface Aerator
11.11 Static Mixers
11.12 Ejectors, Venturis and Orifice Plates
11.13 3-Phase Fluidized Bed
12 BIBLIOGRAPHY
TABLES
1 REGIMES OF GAS-LIQUID MASS TRANSFER WITH ISOTHERMAL CHEMICAL REACTION
2 REGIMES OF GAS-LIQUID MASS TRANSFER IGNORING LARGE EXOTHERMS OR OTHER COMPLICATIONS
3 COMPARATIVE MASS TRANSFER PERFORMANCE OF CONTACTING DEVICES
4 COMPARATIVE MASS TRANSFER DATA
5 CHOICE OF GAS-LIQUID REACTOR TYPE
FIGURES
1 RATE AND YIELD DETERMINING STEPS
2 ENHANCEMENT FACTOR vs HATTA NUMBER
3 ENHANCEMENT FACTOR vs HATTA NUMBER : EFFECT OF THERMAL & OTHER FACTORS
4 REACTORS FOR LIQUID-PHASE KINETICS
MEASUREMENT
5 EXPERIMENTS TO DETERMINE THE OPERATING
REGIME
6 EXPERIMENTS DETERMINE THE OPERATING REGIME WHERE A SOLID CATALYST IS INVOLVED
7 THE MIXED ZONES IN LOOPS' MODEL FOR STIRRED REACTORS
Selection of Heat Exchanger Types
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
4 BACKGROUND
5 FACTORS INFLUENCING SELECTION
5.1 Type of Duty
5.2 Temperatures and Pressures
5.3 Materials of Construction 5.4 Fouling
5.5 Safety and Reliability
5.6 Repairs
5.7 Design Methods
5.8 Dimensions and Weight
5.9 Cost
5.10 GBHE Experience
6 TYPES OF EXCHANGER
6.1 Shell and Tube Exchangers
6.2 Cylindrical Graphite Block Heat Exchangers
6.3 Cubic Graphite Block Heat Exchangers
6.4 Air Cooled Heat Exchangers
6.5 Gasketed Plate and Frame
6.6 Spiral Plate
6.7 Tube in Duct
6.8 Plate-fin
6.9 Printed Circuit Heat Exchanger (PCHE)
6.10 Scraped Surface/Wiped Film Exchangers
6.11 Welded or Brazed Plate
6.12 Double Pipe
6.13 Electric Heaters
6.14 Fired Process Heaters
TABLE
(1) ADVANTAGES AND DISADVANTAGES OF DIFFERENT SHELL AND TUBE DESIGNS
FIGURES
1 ESTIMATED MAIN PLANT ITEM COSTS
2 ESTIMATED INSTALLED COSTS
3 TEMA HEAT EXCHANGER NOMENCLATURE
4 F ‘CORRECTION FACTORS' : TEMA E SHELL WITH EVEN NUMBER OF PASSE
5 SHELL AND TUBE HEAT EXCHANGER HEAD TYPES
6 GENERAL ARRANGEMENT OF A CYLINDRICAL GRAPHITE BLOCK HEAT EXCHANGER
7 EXPLODED VIEW OF A CUBIC GRAPHITE BLOCK
HEAT EXCHANGER
8 TYPICAL AIR COOLED HEAT EXCHANGER
9 GENERAL VIEW OF ONE END OF A 3-STREAM
PLATE-FIN HEAT EXCHANGER
10 TYPICAL PCHE PLATE
11 VICARB ‘COMPABLOC' EXCHANGER
12 ‘BROWN FINTUBE' MULTITUBE HEAT EXCHANGER
13 FIRED HEATER : SCHEMATICS AND NOMENCLATURE
Similar to Reactor Modeling Tools – Multiple Regressions (20)
Pressure Relief Systems Vol 2
Causes of Relief Situations
This Volume 2 is a guide to the qualitative identification of common causes of overpressure in process equipment. It cannot be exhaustive; the process engineer and relief systems team should look for any credible situation in addition to those given in this Part which could lead to a need for pressure relief (a relief situation).
This document provides guidelines for engineering design of pressure relief systems. It discusses key principles such as identifying potential overpressure and underpressure causes, sizing relief systems to prevent hazards, and safely disposing of relieved materials. The guidelines cover statutory requirements, recommended design procedures, and documentation standards. The overall goal is to preserve equipment integrity and prevent failure from over or under pressure during all process phases.
GAS DISPERSION - A Definitive Guide to Accidental Releases of Heavy GasesGerard B. Hawkins
GAS DISPERSION - A Definitive Guide to Accidental Releases of Heavy Gases
This Process Safety Guide has been written with the aim of assisting process engineers, hazard analysts and environmental advisers in carrying out gas dispersion calculations. The Guide aims to provide assistance by:
• Improving awareness of the range of dispersion models available within GBHE, and providing guidance in choosing the most appropriate model for a particular application.
• Providing guidance to ensure that source terms and other model inputs are correctly specified, and the models are used within their range of applicability.
• Providing guidance to deal with particular topics in gas dispersion such as dense gas dispersion, complex terrain, and modeling the chemistry of oxides of nitrogen.
• Providing general background on air quality and dispersion modeling issues such as meteorology and air quality standards.
• Providing example calculations for real practical problems.
SCOPE
The gas dispersion guide contains the following Parts:
1 Fundamentals of meteorology.
2 Overview of air quality standards.
3 Comparison between different air quality models.
4 Designing a stack.
5 Dense gas dispersion.
6 Calculation of source terms.
7 Building wake effects.
8 Overview of the chemistry of the oxides of nitrogen.
9 Overview of the ADMS complex terrain module.
10 Overview of the ADMS deposition module.
11 ADMS examples.
12 Modeling odorous releases.
13 Bibliography of useful gas dispersion books and reports.
14 Glossary of gas dispersion modeling terms.
Appendix A : Modeling Wind Generation of Particulates.
APPENDIX B TABLE OF PROPERTY VALUES FOR SPECIFIC CHEMICALS
101 Things That Can Go Wrong on a Primary Reformer - Best Practices GuideGerard B. Hawkins
This document discusses common problems that can occur in primary reformers and associated equipment. It identifies issues that can lead to plant shutdowns or efficiency losses, grouping them under catalysts, tubes, furnace boxes, burners, flue gas ducts, headers, and refractories. Some examples discussed include carbon formation, tube overheating, flame impingement, leaks in air preheaters, combustion air maldistribution, and damage to coffins. The document provides an overview of these issues to improve plant reliability over its lifespan.
El impacto en el rendimiento del catalizador por envenenamiento y ensuciamien...Gerard B. Hawkins
El documento describe los procesos de refinería y catalizadores, así como los efectos del envenenamiento y ensuciamiento en el rendimiento de los catalizadores. El envenenamiento reduce la actividad de los catalizadores al bloquear los sitios activos o modificar la química de la superficie, lo que afecta la actividad y selectividad. Los niveles bajos de contaminantes tienen un mayor impacto en catalizadores con menor área de superficie. El envenenamiento también puede causar cambios estructurales en el catalizador y permitir
Theory of Carbon Formation in Steam Reforming
Contents
1 Introduction
2 Underpinning Theory
2.1 Conceptualization
2.2 Reforming Reactions
2.3 Carbon Formation Chemistry
2.3.1 Natural Gas
2.3.2 Carbon Formation for Naphtha Feeds
2.3.3 Carbon Gasification
2.4 Heat Transfer
3 Causes
3.1 Effects of Carbon Formation
3.2 Types of Carbon
4 What are the Effects of Carbon Formation?
4.1 Why does Carbon Formation Get Worse?
4.1.1 So what is the Next Step?
4.2 Consequences of Carbon Formation
4.3 Why does Carbon Form where it does?
4.3.1 Effect on Process Gas Temperature
4.4 Why does Carbon Formation Propagate Down the Tube?
4.4.1 Effect on Radiation on the Fluegas Side
4.5 Why does Carbon Formation propagate Up the Tube?
5 How do we Prevent Carbon Formation
5.1 The Role of Potash
5.2 Inclusion of Pre-reformer
5.3 Primary Reformer Catalyst Parameters
5.3.1 Activity
5.3.2 Heat Transfer
5.3.3 Increased Steam to Carbon Ratio
6 Steam Out
6.1 Why does increasing the Steam to Carbon Ratio Not Work?
6.2 Why does reducing the Feed Rate not help?
6.3 Fundamental Principles of Steam Outs
TABLES
1 Heat Transfer Coefficients in a Typical Reformer
2 Typical Catalyst Loading Options
FIGURES
1 Hot Bands
2 Conceptual Pellet
3 Naphtha Carbon Formation
4 Heat Transfer within an Reformer
5 Types of Carbon Formation
6 Effect of Carbon on Nickel Crystallites
7 Absorption of Heat
8 Comparison of "Base Case" v Carbon Forming Tube
9 Carbon Formation Vicious Circle
10 Temperature Profiles
11 Carbon Pinch Point
12 Carbon Formation
13 Effect on Process Gas Temperature
14 How does Carbon Propagate into an Unaffected Zone?
15 Movement of the Carbon Forming Region
16 Effect of Hot Bands on Radiative Heat Transfer
17 Effect of Potash on Carbon Formation
18 Application of a Pre-reformer
19 Effect of Activity on Carbon Formation
Adiabatic Reactor Analysis for Methanol Synthesis Plant Note Book Series: P...Gerard B. Hawkins
The document discusses adiabatic reactor analysis for methanol synthesis from syngas. It provides the reaction kinetics and calculates conversion, temperature, and reactor volume needed at different conversions. Energy and mass balances are used to derive relationships between conversion, temperature and reaction rate. Data is generated to plot conversion versus volumetric flow rate for reactor sizing. The plot indicates a continuous stirred tank reactor (CSTR) could achieve 85% conversion before switching to a plug flow reactor (PFR) for higher conversion with less volume.
Calculation of an Ammonia Plant Energy Consumption: Gerard B. Hawkins
Calculation of an Ammonia Plant Energy Consumption:
Case Study: #06023300
Plant Note Book Series: PNBS-0602
CONTENTS
0 SCOPE
1 CALCULATION OF NATURAL GAS PROCESS FEED CONSUMPTION
2 CALCULATION OF NATURAL GAS PROCESS FUEL CONSUMPTION
3 CALCULATION OF NATURAL GAS CONSUMPTION FOR PILOT BURNERS OF FLARES
4 CALCULATION OF DEMIN. WATER FROM DEMIN. UNIT
5 CALCULATION OF DEMIN. WATER TO PACKAGE BOILERS
6 CALCULATION OF MP STEAM EXPORT
7 CALCULATION OF LP STEAM IMPORT
8 DETERMINATION OF ELECTRIC POWER CONSUMPTION
9 DETERMINATION OF THE TOTAL ENERGY CONSUMPTION OF THE AMMONIA PLANT ISBL
10 ADJUSTMENT OF ELECTRIC POWER CONSUMPTION FOR TEST RUN CONDITIONS
11 CALCULATION OF AMMONIA SHARE IN MP STEAM CONSUMPTION IN UTILITIES
12 CALCULATION OF AMMONIA SHARE IN ELECTRIC POWER CONSUMPTION IN UTILITIES
13 DETERMINATION OF THE TOTAL ENERGY CONSUMPTION OF THE AMMONIA PLANT OSBL
14 DETERMINATION OF THE TOTAL ENERGY CONSUMPTION OF THE AMMONIA PLANT
Ammonia Plant Technology
Pre-Commissioning Best Practices
GBHE-APT-0102
PICKLING & PASSIVATION
CONTENTS
1 PURPOSE OF THE WORK
2 CHEMICAL CONCEPT
3 TECHNICAL CONCEPT
4 WASTES & SAFETY CONCEPT
5 TARGET RESULTS
6 THE GENERAL CLEANING SEQUENCE MANAGEMENT
6.6.1 Pre-cleaning or “Physical Cleaning
6.6.2 Pre-rinsing
6.6.3 Chemical Cleaning
6.6.4 Critical Factors in Cleaning Success
6.6.5 Rinsing
6.6.6 Inspection and Re-Cleaning, if Necessary
7 Systems to be treated by Pickling/Passivation
Ammonia Plant Technology
Pre-Commissioning Best Practices
Piping and Vessels Flushing and Cleaning Procedure
CONTENTS
1 Scope
2 Aim/purpose
3 Responsibilities
4 Procedure
4.1 Main cleaning methods
4.1.1 Mechanical cleaning
4.1.2 Cleaning with air
4.1.3 Cleaning with steam (for steam networks only)
4.1.4 Cleaning with water
4.2 Choice of the cleaning method
4.3 Cleaning preparation
4.4 Protection of the devices included in the network
4.5 Protection of devices in the vicinity of the network
4.6 Water flushing procedure
4.6.1 Specific problems of water flushing
4.6.2 Preparation for water flushing
4.6.3 Performing a water flush
4.6.4 Cleanliness criteria
4.7 Air blowing procedure
4.7.1 Specific problems of air blowing
4.7.2 Preparation for air blowing
4.7.3 Performing air blowing
4.7.4 Cleanliness checks
4.8 Steam blowing procedure
4.8.1 Specific problems of steam blowing
4.8.2 Preparation for steam blowing
4.8.3 Performing steam blowing
4.8.4 Cleanliness checks
4.9 Chemical cleaning procedure
4.9.1 Specific problems of cleaning with a chemical solution
4.9.2 Preparation for chemical cleaning
4.9.3 Performing a chemical cleaning
4.9.4 Cleanliness criteria
4.10 Re-assembly - general guideline
4.11 Preservation of flushed piping
DESIGN OF VENT GAS COLLECTION AND DESTRUCTION SYSTEMS Gerard B. Hawkins
DESIGN OF VENT GAS COLLECTION AND DESTRUCTION SYSTEMS
CONTENTS
1 INTRODUCTION
1.1 Purpose
1.2 Scope of this Guide
1.3 Use of the Guide
2 ENVIRONMENTAL ISSUES
2.1 Principal Concerns
2.2 Mechanisms for Ozone Formation
2.3 Photochemical Ozone Creation Potential
2.4 Health and Environmental Effects
2.5 Air Quality Standards for Ground Level Concentrations of Ozone, Targets for Reduction of VOC Discharges and Statutory Discharge Limits
3 VENTS REDUCTION PHILOSOPHY
3.1 Reduction at Source
3.2 End-of-pipe Treatment
4 METHODOLOGY FOR COLLECTION & ASSESSMENT OF PROCESS FLOW DATA
4.1 General
4.2 Identification of Vent Sources
4.3 Characterization of Vents
4.4 Quantification of Process Vent Flows
4.5 Component Flammability Data Collection
4.6 Identification of Operating Scenarios
4.7 Quantification of Flammability Characteristics for Combined Vents
4.8 Identification, Quantification and Assessment of Possibility of Air Ingress Routes
4.9 Tabulation of Data
4.10 Hazard Study and Risk Assessment
4.11 Note on Aqueous / Organic Wastes
4.12 Complexity of Systems
4.13 Summary
5 SAFE DESIGN OF VENT COLLECTION HEADER SYSTEMS
5.1 General
5.2 Process Design of Vent Headers
5.3 Liquid in Vent Headers
5.4 Materials of Construction
5.5 Static Electricity Hazard
5.6 Diversion Systems
5.7 Snuffing Systems
6 SAFE DESIGN OF THERMAL OXIDISERS
6.1 Introduction
6.2 Design Basis
6.3 Types of High Temperature Thermal Oxidizer
6.4 Refractories
6.5 Flue Gas Treatment
6.6 Control and Safety Systems
6.7 Project Program
6.8 Commissioning
6.9 Operational and Maintenance Management
APPENDICES
A GLOSSARY
B FLAMMABILITY
C EXAMPLE PROFORMA
D REFERENCES
DOCUMENTS REFERRED TO IN THIS PROCESS GUIDE
TABLE
1 PHOTOCHEMICAL OZONE CREATION POTENTIAL REFERENCED
TO ETHYLENE AS UNITY
FIGURES
1 SCHEMATIC OF TYPICAL VENT COLLECTION AND THERMAL OXIDIZER SYSTEM
2 TYPICAL KNOCK-OUT POT WITH LUTED DRAIN
3 SCHEMATIC OF DIVERSION SYSTEM
4 CONVENTIONAL VERTICAL THERMAL OXIDIZER
5 CONVENTIONAL OXIDIZER WITH INTEGRAL WATER SPARGER
6 THERMAL OXIDIZER WITH STAGED AIR INJECTION
7 DOWN-FIRED UNIT WITH WATER BATH QUENCH
8 FLAMELESS THERMAL OXIDATION UNIT
9 THERMAL OXIDIZER WITH REGENERATIVE HEAT RECOVERY
10 TYPICAL PROJECT PROGRAM
11 TYPICAL FLAMMABILITY DIAGRAM
12 EFFECT OF DILUTION WITH AIR
13 EFFECT OF DILUTION WITH AIR ON 100 Rm³ OF FLAMMABLE GAS
PRACTICAL GUIDE ON THE SELECTION OF PROCESS TECHNOLOGY FOR THE TREATMENT OF A...Gerard B. Hawkins
PRACTICAL GUIDE ON THE SELECTION OF PROCESS TECHNOLOGY FOR THE TREATMENT OF AQUEOUS ORGANIC EFFLUENT STREAMS
CONTENTS
0 INTRODUCTION/PURPOSE
1 SCOPE
2 FIELD OF APPLICATION
3 DEFINITIONS
3.1 IPU
3.2 AOS
3.3 BODs
3.4 COD
3.5 TOC
3.6 Toxicity
3.7 Refractory Organics/Hard COD
3.8 Heavy Metals
3.9 EA
3.10 Biological Treatment Terms
3.11 BATNEEC
3.12 BPEO
3.13 EQS/LV
3.14 IPC
3.15 VOC
3.16 F/M Ratio
3.17 MLSS
3.18 MLVSS
4 DESIGN/ECONOMIC GUIDELINES
5 EUROPEAN LEGISLATION
5.1 General
5.2 Integrated Pollution Control (IPC)
5.3 Best Available Techniques Not Entailing Excessive Costs (BATNEEC)
5.4 Best Practicable Environmental Option (BPEO)
5.5 Environmental Quality Standards(EQS)
6 IPU EXIT CONCENTRATION
7 SITE/LOCAL REQUIREMENTS
8 PROCESS SELECTION PROCEDURE
8.1 Waste Minimization Techniques (WMT)
8.2 AOS Stream Definition
8.3 Technical Check List
8.4 Preliminary Selection of Suitable Technologies
8.5 Process Sequences
8.6 Economic Evaluation
8.7 Process Selection
APPENDICES
A DIRECTIVE 76/464/EEC - LIST 1
B DIRECTIVE 76/464/EEC - LIST 2
C THE EUROPEAN COMMISSION PRIORITY CANDIDATE LIST
D THE UK RED LIST
E CURRENT VALUES FOR EUROPEAN COMMUNITY ENVIRONMENTAL QUALITY STANDARDS AND CORRESPONDING LIMIT VALUES
F ESTABLISHED TECHNOLOGIES
G EMERGING TECHNOLOGY
H PROPRIETARY/LESS COMMON TECHNOLOGIES
J COMPARATIVE COST DATA
PRACTICAL GUIDE ON THE REDUCTION OF DISCHARGES TO ATMOSPHERE OF VOLATILE ORGA...Gerard B. Hawkins
PRACTICAL GUIDE ON THE REDUCTION OF DISCHARGES TO ATMOSPHERE OF VOLATILE ORGANIC COMPOUNDS (VOCs)
FOREWORD
CONTENTS
1 INTRODUCTION
2 THE NEED FOR VOC CONTROL
3 CONTROL AT SOURCE
3.1 Choice or Solvent
3.2 Venting Arrangements
3.3 Nitrogen Blanketing
3.4 Pump Versus Pneumatic Transfer
3.5 Batch Charging
3.6 Reduction of Volumetric Flow
3.7 Stock Tank Design
4 DISCHARGE MEASUREMENT
4.1 By Inference or Calculation
4.2 Flow Monitoring Equipment
4.3 Analytical Instruments
4.4 Vent Emissions Database
5 ABATEMENT TECHNOLOGY
5.1 Available Options
5.2 Selection of Preferred Option
5.3 Condensation
5.4 Adsorption
5.5 Absorption
5.6 Thermal Incineration
5.7 Catalytic Oxidation
5.8 Biological Filtration
5.9 Combinations of Process technologies
5.10 Processes Under Development
6 GLOSSARY OF TERMS
7 REFERENCES
Appendix 1. Photochemical Ozone Creation Potentials
Appendix 2. Examples of Adsorption Preliminary Calculations
Appendix 3. Example of Thermal Incineration Heat and Mass Balance
Appendix 4. Cost Correlations
Getting the Most Out of Your Refinery Hydrogen PlantGerard B. Hawkins
Getting the Most Out of Your Refinery Hydrogen Plant
Contents
Summary
1 Introduction
2 "On-purpose" Hydrogen Production
3 Operational Aspects
4 Uprating Options on the Steam Reformer
4.1 Steam Reforming Catalysts and Tube Metallurgy
4.2 Oxygen-blown Secondary Reformer
4.3 Pre-reforming
4.4 Post-reforming
5 Downstream Units
6 Summary of Uprating Options
7 Conclusions
EMERGENCY ISOLATION OF CHEMICAL PLANTS
CONTENTS
1 Introduction
2 When should Emergency Isolation Valves be Installed
3 Emergency Isolation Valves and Associated Equipment
3.1 Installations on existing plant
3.2 Actuators
3.3 Power to close or power to open
3.4 The need for testing
3.5 Hand operated Emergency Valves
3.6 The need to stop pumps in an emergency
3.7 Location of Operating Buttons
3.8 Use of control valves for Isolation
4 Detection of Leaks and Fires
5 Precautions during Maintenance
6 Training Operators to use Emergency Isolation Valves
7 Emergency Isolation when no remotely operated valve is available
References
Glossary
Appendix I Some Fires or Serious Escapes of Flammable Gases or Liquids that could have been controlled by Emergency Isolation Valves
Appendix II Some typical Installations
Amine Gas Treating Unit - Best Practices - Troubleshooting Guide Gerard B. Hawkins
Amine Gas Treating Unit Best Practices - Troubleshooting Guide for H2S/CO2 Amine Systems
Contents
Process Capabilities for gas treating process
Typical Amine Treating
Typical Amine System Improvements
Primary Equipment Overview
Inlet Gas Knockout
Absorber
Three Phase Flash Tank
Lean/Rich Heat Exchanger
Regenerator
Filtration
Amine Reclaimer
Operating Difficulties Overview
Foaming
Failure to Meet Gas Specification
Solvent Losses
Corrosion
Typical Amine System Improvements
Degradation of Amines and Alkanolamines during Sour Gas Treating
APPENDIX
Best Practices - Troubleshooting Guide
Investigation of the Potential Use of (IILs) Immobilized Ionic Liquids in Sha...Gerard B. Hawkins
The document discusses using immobilized ionic liquids (IILs) in shale gas sweetening reactions. It proposes immobilizing a cobalt catalyst in the surface ionic liquid layer of a solid supported ionic liquid catalyst. This would create a "homogeneous catalyst" dissolved within the fixed IIL layer. Competing reactions like oxidation of sulfides to sulfones would need to be considered. Related work on using similar approaches for hydroformylation reactions is referenced. The concept aims to develop a solid IIL catalyst for sweetening reactions involving oxidation using techniques from other areas like hydroformylation.
Skybuffer SAM4U tool for SAP license adoptionTatiana Kojar
Manage and optimize your license adoption and consumption with SAM4U, an SAP free customer software asset management tool.
SAM4U, an SAP complimentary software asset management tool for customers, delivers a detailed and well-structured overview of license inventory and usage with a user-friendly interface. We offer a hosted, cost-effective, and performance-optimized SAM4U setup in the Skybuffer Cloud environment. You retain ownership of the system and data, while we manage the ABAP 7.58 infrastructure, ensuring fixed Total Cost of Ownership (TCO) and exceptional services through the SAP Fiori interface.
Cosa hanno in comune un mattoncino Lego e la backdoor XZ?Speck&Tech
ABSTRACT: A prima vista, un mattoncino Lego e la backdoor XZ potrebbero avere in comune il fatto di essere entrambi blocchi di costruzione, o dipendenze di progetti creativi e software. La realtà è che un mattoncino Lego e il caso della backdoor XZ hanno molto di più di tutto ciò in comune.
Partecipate alla presentazione per immergervi in una storia di interoperabilità, standard e formati aperti, per poi discutere del ruolo importante che i contributori hanno in una comunità open source sostenibile.
BIO: Sostenitrice del software libero e dei formati standard e aperti. È stata un membro attivo dei progetti Fedora e openSUSE e ha co-fondato l'Associazione LibreItalia dove è stata coinvolta in diversi eventi, migrazioni e formazione relativi a LibreOffice. In precedenza ha lavorato a migrazioni e corsi di formazione su LibreOffice per diverse amministrazioni pubbliche e privati. Da gennaio 2020 lavora in SUSE come Software Release Engineer per Uyuni e SUSE Manager e quando non segue la sua passione per i computer e per Geeko coltiva la sua curiosità per l'astronomia (da cui deriva il suo nickname deneb_alpha).
Ocean lotus Threat actors project by John Sitima 2024 (1).pptxSitimaJohn
Ocean Lotus cyber threat actors represent a sophisticated, persistent, and politically motivated group that poses a significant risk to organizations and individuals in the Southeast Asian region. Their continuous evolution and adaptability underscore the need for robust cybersecurity measures and international cooperation to identify and mitigate the threats posed by such advanced persistent threat groups.
HCL Notes und Domino Lizenzkostenreduzierung in der Welt von DLAUpanagenda
Webinar Recording: https://www.panagenda.com/webinars/hcl-notes-und-domino-lizenzkostenreduzierung-in-der-welt-von-dlau/
DLAU und die Lizenzen nach dem CCB- und CCX-Modell sind für viele in der HCL-Community seit letztem Jahr ein heißes Thema. Als Notes- oder Domino-Kunde haben Sie vielleicht mit unerwartet hohen Benutzerzahlen und Lizenzgebühren zu kämpfen. Sie fragen sich vielleicht, wie diese neue Art der Lizenzierung funktioniert und welchen Nutzen sie Ihnen bringt. Vor allem wollen Sie sicherlich Ihr Budget einhalten und Kosten sparen, wo immer möglich. Das verstehen wir und wir möchten Ihnen dabei helfen!
Wir erklären Ihnen, wie Sie häufige Konfigurationsprobleme lösen können, die dazu führen können, dass mehr Benutzer gezählt werden als nötig, und wie Sie überflüssige oder ungenutzte Konten identifizieren und entfernen können, um Geld zu sparen. Es gibt auch einige Ansätze, die zu unnötigen Ausgaben führen können, z. B. wenn ein Personendokument anstelle eines Mail-Ins für geteilte Mailboxen verwendet wird. Wir zeigen Ihnen solche Fälle und deren Lösungen. Und natürlich erklären wir Ihnen das neue Lizenzmodell.
Nehmen Sie an diesem Webinar teil, bei dem HCL-Ambassador Marc Thomas und Gastredner Franz Walder Ihnen diese neue Welt näherbringen. Es vermittelt Ihnen die Tools und das Know-how, um den Überblick zu bewahren. Sie werden in der Lage sein, Ihre Kosten durch eine optimierte Domino-Konfiguration zu reduzieren und auch in Zukunft gering zu halten.
Diese Themen werden behandelt
- Reduzierung der Lizenzkosten durch Auffinden und Beheben von Fehlkonfigurationen und überflüssigen Konten
- Wie funktionieren CCB- und CCX-Lizenzen wirklich?
- Verstehen des DLAU-Tools und wie man es am besten nutzt
- Tipps für häufige Problembereiche, wie z. B. Team-Postfächer, Funktions-/Testbenutzer usw.
- Praxisbeispiele und Best Practices zum sofortigen Umsetzen
Threats to mobile devices are more prevalent and increasing in scope and complexity. Users of mobile devices desire to take full advantage of the features
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1. GBH Enterprises, Ltd.
Process Engineering Guide:
GBHE-PEG-RXT-821
Reactor Modeling Tools – Multiple
Regressions
Process Disclaimer
Information contained in this publication or as otherwise supplied to Users is
believed to be accurate and correct at time of going to press, and is given in
good faith, but it is for the User to satisfy itself of the suitability of the information
for its own particular purpose. GBHE gives no warranty as to the fitness of this
information for any particular purpose and any implied warranty or condition
(statutory or otherwise) is excluded except to the extent that exclusion is
prevented by law. GBHE accepts no liability resulting from reliance on this
information. Freedom under Patent, Copyright and Designs cannot be assumed.
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Characterization Refining & Gas Processing & Petrochemical Industries Catalysts / Process Technology - Hydrogen Catalysts /
Process Technology – Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology – Petrochemicals
Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries
Web Site: www.GBHEnterprises.com
2. Process Engineering Guide:
Reactor Modeling Tools
– Multiple Regressions
CONTENTS
0
INTRODUCTION
1
SCOPE
2
THEORY
3
EXCEL 2007: MULTIPLE REGRESSIONS
3.1
3.2
3.3
3.4
3.5
3.6
3.7
3.8
3.9
3.10
3.11
Overview
Multiple Regression Using the Data Analysis ADD-IN
Interpret Regression Statistics Table
Interpret ANOVA Table
Interpret Regression Coefficients Table
Confidence Intervals for Slope Coefficients
Test Hypothesis of Zero Slope Coefficients ("Test of Statistical
Significance")
Test Hypothesis on a Regression Parameter
3.8.1 Using the p-value approach
3.8.2 Using the critical value approach
Overall Test of Significance of the Regression Parameters
Predicted Value of Y Given Regressors
Excel Limitations
4
SPECIAL FEATURES REQUIRING MORE SOPHISTICATED
TECHNIQUES
5
USER INFORMATION SUPPLIED
A
B
C
6
SUBROUTINE
DATA
RESULTS
EXAMPLE
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3. 0
INTRODUCTION
Excel Multiple Regression can be used for parameter fitting for algebraic and
ordinary differential equation models.
It can be tailored for finding the values of rate constants which give the best fit of
measured data to rate expressions.
It carries out a statistical analysis of the results.
1
SCOPE
This guide summarizes the application of Excel Multiple Regressions; using the
Data Analysis Add-in as a fitting program for rate expression data.
2
THEORY
Reaction rate expressions are usually functions of concentrations, temperature
and pressure. For a homogeneous reaction, one might have:
For a homogeneous gas phase reaction, a similar type of equation might apply
but one might have:
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4. In the case of homogeneous catalysis, the catalyst concentration would be
incorporated in the rate expression. Heterogeneous catalysis also gives rise to
equations which incorporate the catalyst concentration, e.g.:
It is common to express the rates of this type of reaction as e.g.:
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5. Whatever the form of the rate expressions, they contain “rate constants” i.e. the
k, K1, K3 in the above rate expressions. These are themselves usually correlated
with temperature by the Arrhenius equation:
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6. Values of k, or k0 and E for the various reactions taking place are required before
reactor analysis or design is possible by means of a mathematical model. These
are analogous to heat or mass transfer coefficients in the analysis or design of a
heat exchanger or gas absorber. In the case of mass and heat transfer,
reasonable a priori calculation of coefficients can be made from mature
correlations. Unfortunately there is no similar method for calculation of reaction
rate constant. These have to be determined from measurements of the reaction
rates, and the "fitting" of the k, K1, K2, K3, k0, E to the measurements of r, C1, C2,
f1, f2 etc..
Hopefully, the data will be available from a reactor, either in the laboratory or on
the works, which approximates acceptably to one of the ideal types.
Data from a batch reaction will be in the form of reactant and product
concentrations, and temperature (and pressure if necessary) at a number of
points in time through the batch. Fitting of rate constants using a computer will
require numerical integration of rate expressions devised for the particular
reactions under study.
Data from an ideal plug flow reactor will be in the form of reactant and product
concentrations temperature (and pressure) at various residence times. These
data are treated similarly to the batch data remembering that (for constant
density):
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7. It would then be feasible to fit the rate constants to r, using the exit
concentrations and temperature in the rate expressions.
If the reactors do not conform to one of the ideal types, then the model is
complicated by having to take residence time distribution into account. The
principle of fitting rate constants to a model of the reactor remains the same.
The fitting process is an optimization, with the rate constants thought of as the
variables and the objective function being some function of the difference
between measured data and the corresponding data calculated from the reactor
model incorporating "rate constant variables". An example would be to find the
values of the rate constants which minimized:
In principle, any numerical optimizer could be tried. However, Excel Multiple
Regressions using the Data Analysis Add-in as a fitting program, provides a
reasonably flexible package which can be tailored specifically for your
application.
3
EXCEL 2007: MULTIPLE REGRESSIONS
3.1
Overview
Multiple regressions using the Data Analysis Add-in.
Interpreting the regression statistic.
Interpreting the ANOVA table (often this is skipped)
Interpreting the regression coefficients table
Confidence intervals for the slope parameters
Testing for statistical significance of coefficients
Testing hypothesis on a slope parameter
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8.
Testing overall significance of the regressors
Predicting y given values of regressors
Excel limitations
There is little extra to know beyond regression with one explanatory variable.
The main addition is the F-test for overall fit.
3.2
Multiple Regression Using the Data Analysis ADD-IN
This requires the Data Analysis Add-in: see Excel 2007: Access and Activating
the Data Analysis Add-in.
Note1: The only change over one-variable regression is to include more than one
column in the Input X Range.
Note2: The regressors need to be in contiguous columns.
If this is not the case in the original data, then columns need to be copied to get
the regressors in contiguous columns.
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9. The regression output has three components:
o Regression statistics table
o ANOVA table
o Regression coefficients table
3.3
Interpret Regression Statistics Table
This is the following output. Of greatest interest is R Square.
Explanation
Multiple R
0.895828 R = square root of R2
R Square
0.802508 R2
Adjusted R
Square
0.605016 Adjusted R2 used if more than one x variable
Standard Error
0.444401
This is the sample estimate of the standard
deviation of the error u
Observations
5
Number of observations used in the regression (n)
The above gives the overall goodness-of-fit measures:
R2 = 0.8025
Correlation between y and y-hat is 0.8958 (when squared gives 0.8025).
Adjusted R2 = R2 - (1-R2 )*(k-1)/(n-k) = .8025 - .1975*2/2 = 0.6050.
The standard error here refers to the estimated standard deviation of the error
term u.
It is sometimes called the standard error of the regression. It equals sqrt(SSE/(nk)).
It is not to be confused with the standard error of y itself (from descriptive
statistics) or with the standard errors of the regression coefficients given below.
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10. R2 = 0.8025 means that 80.25% of the variation of yi around ybar (its mean) is
explained by the regressors x2i and x3i.
3.4
Interpret ANOVA Table
An ANOVA table is given. This is often skipped.
df SS
MS
F
Significance F
Regression 2 1.6050 0.8025 4.0635 0.1975
Residual
2 0.3950 0.1975
Total
4 2.0
The ANOVA (analysis of variance) table splits the sum of squares into its
components.
Total sums of squares
= Residual (or error) sum of squares + Regression (or explained)
sum of squares.
Thus Σ i (yi – yo)2 = Σ i (yi – y1i )2 + Σ i (y1i – y0)2
y1i is the value of yi predicted from the regression line and y0 is the
sample mean of y.
where
For example:
R2
= 1 - Residual SS / Total SS
(general formula for R2)
= 1 - 0.3950 / 1.6050
(from data in the ANOVA table)
= 0.8025
(which equals R2 given in the
regression Statistics table).
The column labeled F gives the overall F-test of H0: β2 = 0 and β3 = 0 versus Ha:
at least one of β2 and β3 does not equal zero.
Aside: Excel computes F this as:
F = [Regression SS/(k-1)] / [Residual SS/(n-k)] = [1.6050/2] / [.39498/2] = 4.0635.
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11. The column labeled significance F has the associated P-value.
Since 0.1975 > 0.05, we do not reject H0 at significance level 0.05.
Note: Significance F in general = FINV(F, k-1, n-k) where k is the number of
regressors including the intercept.
Here FINV(4.0635,2,2) = 0.1975.
3.5
Interpret Regression Coefficients Table
The regression output of most interest is the following table of coefficients and
associated output
Coefficient St. error t Stat
P-value Lower 95% Upper 95%
Intercept 0.89655
0.76440 1.1729 0.3616 -2.3924
4.1855
R1
0.33647
0.42270 0.7960 0.5095 -1.4823
2.1552
R2
0.00209
0.01311 0.1594 0.8880 -0.0543
0.0585
Let βj denote the population coefficient of the jth regressor (intercept, R1 and
R2).
Then
Column "Coefficient" gives the least squares estimates of βj.
Column "Standard error" gives the standard errors (i.e. the estimated
standard deviation) of the least squares estimates bj of βj.
Column "t Stat" gives the computed t-statistic for H0: βj = 0 against Ha: βj
≠ 0.
This is the coefficient divided by the standard error. It is compared to a t with (nk) degrees of freedom where here n = 5 and k = 3.
Column "P-value" gives the p-value for test of H0: βj = 0 against Ha: βj ≠
0..
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12. This equals the Pr{|t| > t-Stat}where t is a t-distributed random variable with n-k
degrees of freedom and t-Stat is the computed value of the t-statistic given in the
previous column.
Note that this p-value is for a two-sided test. For a one-sided test divide this pvalue by 2 (also checking the sign of the t-Stat).
Columns "Lower 95%" and "Upper 95%" values define a 95% confidence
interval for βj.
A simple summary of the above output is that the fitted line is
y = 0.8966 + 0.3365*x + 0.0021*z
3.6
Confidence Intervals for Slope Coefficients
95% confidence interval for slope coefficient β2 is from Excel output (-1.4823,
2.1552).
Excel computes this as
b2 ± t_.025(3) × se(b2)
= 0.33647 ± TINV(0.05, 2) × 0.42270
= 0.33647 ± 4.303 × 0.42270
= 0.33647 ± 1.8189
= (-1.4823, 2.1552)
Other confidence intervals can be obtained.
For example, to find 99% confidence intervals: in the Regression dialog box (in
the Data Analysis Add-in), check the Confidence Level box and set the level to
99%.
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13. 3.7
Test Hypothesis of Zero Slope Coefficients
("Test of Statistical Significance")
The coefficient of R1 has estimated standard error of 0.4227, t-statistic of 0.7960
and p-value of 0.5095.
It is therefore statistically insignificant at significance level α = .05 as p > 0.05.
The coefficient of R2 has estimated standard error of 0.0131, t-statistic of 0.1594
and p-value of 0.8880.
It is therefore statistically insignificant at significance level α = .05 as p > 0.05.
There are 5 observations and 3 regressors (intercept and x) so we use t(53)=t(2).
For example, for R1 p = =TDIST(0.796,2,2) = 0.5095.
3.8
Test Hypothesis on a Regression Parameter
Here we test whether R1 has coefficient β2 = 1.0.
Example: H0: β2 = 1.0 against Ha: β2 ≠ 1.0 at significance level α = .05.
Then
t = (b2 - H0 value of β2) / (standard error of b2 )
= (0.33647 - 1.0) / 0.42270
= -1.569.
3.8.1 Using the p-value approach
p-value = TDIST(1.569, 2, 2) = 0.257. [Here n=5 and k=3 so n-k=2].
Do not reject the null hypothesis at level .05 since the p-value is > 0.05.
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14. 3.8.2 Using the critical value approach
We computed t = -1.569
The critical value is t_.025(2) = TINV(0.05,2) = 4.303. [Here n=5 and k=3
so n-k=2].
So do not reject null hypothesis at level .05 since t = |-1.569| < 4.303.
3.9
Overall Test of Significance of the Regression Parameters
We test H0: β2 = 0 and β3 = 0 versus Ha: at least one of β2 and β3 does not equal
zero.
From the ANOVA table the F-test statistic is 4.0635 with p-value of 0.1975.
Since the p-value is not less than 0.05 we do not reject the null hypothesis that
the regression parameters are zero at significance level 0.05.
Conclude that the parameters are jointly statistically insignificant at significance
level 0.05.
Note: Significance F in general = FINV(F, k-1, n-k) where k is the number of
regressors including the intercept.
Here FINV(4.0635,2,2) = 0.1975.
3.10
Predicted Value of Y Given Regressors
Consider case where x = 4 in which case R2 = x^3 = 4^3 = 64.
yR1 = b1 + b2 x2 + b3 x3 = 0.88966 + 0.3365×4 + 0.0021×64 = 2.37006
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15. 3.11
Excel Limitations
Excel restricts the number of regressors (only up to 16 regressors ??).
Excel requires that all the regressor variables be in adjoining columns.
You may need to move columns to ensure this. E.g. If the regressors are in
columns B and D you need to copy at least one of columns B and D so that they
are adjacent to each other.
Excel standard errors and t-statistics and p-values are based on the assumption
that the error is independent with constant variance (Homoskedastic).
Excel does not provide alternatives, such as Heteroskedastic-robust or
autocorrelation-robust standard errors and t-statistics and p-values.
More specialized software such as STATA, EVIEWS, SAS, LIMDEP, PC-TSP, is
needed.
4
SPECIAL FEATURES REQUIRING MORE SOPHISTICATED
TECHNIQUES
The program has many features which offer facilities in special cases, which the
ordinary user is unlikely to need. See worked example.
(a)
The basic application of Excel is to a single model, where all data values
are known at all measurement stages. Residuals at different measurement
stages have unknown variances and are assumed to be independent.
However, departures from this basic application can be accommodated
(see next points).
(b)
If the residuals have known variances and/or covariance’s, this information
can be taken into account.
(c)
It may be that in a multi-response experiment, all the responses are not
measured at the same time. This can be accommodated.
(d)
Single response experiments, where different series of data show different
experimental errors (e.g. due to an improved measurement technique
being used part way through the experimental program) can be treated.
These features are controlled by "measurement pattern" parameters.
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16. (e)
It is not necessary that experimental data in the form of concentrations
should be supplied. A "measurable response" can be used. For instance,
because of limitations in the analytical technique, it may be possible to
measure only a sum of concentrations, or some function of them; or it may
be possible only to measure a temperature profile. Provided it is possible
to calculate this "response" from the calculated dependent variables for
comparison with the 'measured response", these sort of data can be
treated.
(f)
It may be that certain information is known about the parameters which
can be usefully incorporated into the fitting routine. For instance, one may
know a parameter's mean estimate or variance (e.g. from the literature).
Again, certain parameters may be known to be normally distributed with
known mean values or known covariance matrix (e.g. due to previous
application of Excel to the same problem but with different data values).
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17. 5
USER INFORMATION SUPPLIED
(a)
Subroutines
If the reactor model is described by algebraic equations, two subroutines are
required:
MODEL
Given independent variables, constants (X), parameters (PAR),
calculate the model dependent variables (Y) (e.g. the
concentrations). This is straight forward if the equations are explicit.
If the equations are implicit, a solving routine has to be supplied by
the user.
RESP
Given independent and dependent model variables (Y) (e.g. the
concentrations calculated by MODEL), constants (X) and
parameters (PAR) calculate the responses (W) for comparison with
experimental responses.
If the reactor model is described by differential equations, three
subroutines are required.
DMODEL
Given independent variables, constants (X), parameters (PAR),
calculate derivatives (DY).
RESP
Given independent and dependent model variables (Y) (e.g. the
concentrations calculated by DMODEL), constants (X) and
parameters (PAR), calculate the responses (W) for comparison with
experimental responses.
DIFIN
Given independent variables, constants, parameters, specify initial
values of dependent variables (YO).
If the differential equations are stiff, and a stiff equation solver is
selected, a fourth subroutine is required.
DIFJAC
Given variables, constants, parameters, calculate analytical
expressions for the Jacobian.
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18. (b)
Data
1
PROBLEM IDENTIFICATION
User selected characters.
2
NO IND VAR
Length of array X.
3
PAR INFO
Number of parameters to be
estimated, and some control
information.
4
RESPONSES
Number of dependent variables
(Y) (E.g. concentrations) and
measurable responses (W).
5
MODEL INFO
Algebraic or differential equation
model flag, calculation control settings.
6
ERROR DIST
Option to take advantage of any
prior knowledge of error distribution.
7
PATTERNS
Number of different error patterns
in response.
8
MAX ITER
Maximum iterations.
9 & 10 PAR
Parameter initial estimates,
termination criteria and bounds.
11
PRIOR IND
Flag indicating user will
supply information on means (and
possibly covariance’s) or parameters.
12
PRIOR MEAN
Values of mean estimates
of parameters.
13
PRIOR COV
Values of covariance’s of parameters.
14
COV
Known covariance’s (only supplied
for certain choices of ERROR DIST and
PATTERNS).
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19. 15
PATTERN
Definition of measurement
patterns (only supplied for certain
choices of ERROR LIST and
PATTERNS).
16
RUN 1
Number of experiments.
17
IND VAR
The X array for experiment.
18
EXP 1.01
Measurement pattern, time
variable, and then the measured
responses (W) at this time.
Repeat 18 as necessary.
Repeat from 16 until number of
experiments is satisfied.
(c)
Results
The program output consists of three large blocks.
(a)
Input data;
(b)
Summary of the iteration sequence of the parameter search;
(c)
Optional parameters estimates and their statistical analysis. Comparison
of measured and calculated response.
Analysis of residuals.
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20. 6
EXAMPLE
Experimental
"Plug flow" reactor with fixed feed composition, varying feed rate and isothermal
temperature. Sampling at reactor exit plus four intermediate points.
Each reactor element contained 0.78gm catalyst. Experimental result was the %
conversion of reactant.
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22. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown
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Balance Analysis Catalyst Remaining Life Determination Catalyst Deactivation Assessment Catalyst Performance
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Process Technology – Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology – Petrochemicals
Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries
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23. Refinery Process Stream Purification Refinery Process Catalysts Troubleshooting Refinery Process Catalyst Start-Up / Shutdown
Activation Reduction In-situ Ex-situ Sulfiding Specializing in Refinery Process Catalyst Performance Evaluation Heat & Mass
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Process Technology – Ammonia Catalyst Process Technology - Methanol Catalysts / process Technology – Petrochemicals
Specializing in the Development & Commercialization of New Technology in the Refining & Petrochemical Industries
Web Site: www.GBHEnterprises.com