Water Sept05
•Download as PPT, PDF•
0 likes•283 views
1. The document discusses using SCCdftb/MM (self-consistent charge density functional tight binding/molecular mechanics) hybrid quantum mechanics/molecular mechanics simulations to model water and solvated proton, hydroxide, and neutral water systems. 2. It evaluates different SCCdftb methods for modeling the diffusion of solvated proton, hydroxide, and neutral water and compares the results to experimental values. 3. The document also discusses dynamically switching water molecules between the quantum mechanics and molecular mechanics regions in the simulations.
Report
Share
Report
Share
Recommended
Abstract with Work Index
This dissertation uses OpenFOAM to simulate single-phase and two-phase flows. For single-phase flows, it simulates laminar flow in cavities of different geometries and natural, mixed, and forced convection in a heated square cavity. For two-phase flows, it develops a Volume of Fluid model in OpenFOAM to simulate air-water flow in horizontal and sinusoidal pipes. Flow patterns like stratified, slug, plug and annular flow are captured and validated against experiments. Finally, it simulates two-phase flow in a channel representing periodic motion in a wave energy converter.
Hplc vs gc
HPLC and GC are both chromatography techniques used to separate mixtures. HPLC uses high pressure liquid mobile phases to move compounds through a densely packed solid stationary phase column, allowing for separation of fluid mixtures. GC uses an inert gas mobile phase to move vaporized or gaseous compounds through a liquid or polymer stationary phase, making it well-suited for analyzing purity. The major differences between the two techniques are that HPLC uses liquid mobile and solid stationary phases, while GC uses gas mobile and liquid stationary phases, and GC includes a temperature-controlled oven during the separation process.
An artificial intelligence based improved classification of two-phase flow patte...
Flow pattern recognition is necessary to select design equations for finding operating details of the process and to perform computational simulations. Visual image processing can be used to automate the interpretation of patterns in two-phase flow. In this paper, an attempt has been made to improve the classification accuracy of the flow pattern of gas/ liquid two- phase flow using fuzzy logic and Support Vector Machine (SVM) with Principal Component Analysis (PCA). The videos of six different types of flow patterns namely, annular flow, bubble flow, churn flow, plug flow, slug flow and stratified flow are re- corded for a period and converted to 2D images for processing. The textural and shape features extracted using image processing are applied as inputs to various classification schemes namely fuzzy logic, SVM and SVM with PCA in order to identify the type of flow pattern. The results obtained are compared and it is observed that SVM with features reduced using PCA gives the better classification accuracy and computationally less intensive than other two existing schemes. This study results cover industrial application needs including oil and gas and any other gas-liquid two-phase flows.
Gc chromatography
1. This document discusses key concepts in chromatography including retention time, efficiency, theoretical plates, plate height, the van Deemter equation, separation factors, and resolution.
2. It explains the basic components of a gas chromatography system including the carrier gas, column, injector, and detectors. Common carrier gases are helium, nitrogen, and hydrogen while common column types are packed, capillary, and open tubular.
3. The three main types of stationary phases in chromatography are solid adsorbents, liquids coated on solid supports, and bonded stationary phases which are covalently attached to prevent bleeding over time. Key stationary phases include dimethylsiloxane, methyl phenyl siloxane,
Prvs 4b. sizing - fluid characteristics at discharge conditions
This document defines key terms related to PRV sizing and discharge conditions, including critical point, supercritical fluid, sub-cooled liquid, saturated fluid, and non-condensable gas. It also summarizes alternative sizing methods from API STD 520, including equations for homogeneous fluids and two-phase liquid/vapor relief scenarios. Appendix C of API STD 520 provides sizing techniques for systems where the fluid enters the PRV already as a two-phase mixture or flashes into a two-phase mixture during depressurization.
Absorption
- The objective of the experiment was to examine the air pressure differential across a column as a function of air flow rate for different water flow rates down the column.
- Pressure differential was plotted as a function of air flow rate on log-log graph paper for each water flow rate.
- Results were calculated from measurements of differential height and plotted on log-log graphs, showing the relationship between air flow rate and differential pressure for different water flow rates.
Bachman_DFIT_2016-10-26_ForPublication
1. PTA analysis of DFIT tests can provide insights into permeability and SRV behavior by identifying composite permeability zones and late-time unit slopes.
2. Overlaying DFITs from multiple wells using rate-normalized derivative plots allows direct comparison of tests and permeability estimates, even with complex flow regimes. Similar estimated permeabilities from this analysis correspond to similar production profiles.
3. Different PTA extrapolation techniques like linear/radial superposition time plots and generalized ACA plots can be used to estimate fracture closure pressure and gradient, accounting for rate variations without imposing impulse assumptions. Specialized plots are not necessary for PTA analysis.
Advanced Techniques
FTIR analysis provides more accurate gas detection and analysis compared to traditional mudlogging techniques. FTIR can analyze gas composition, including C1-C5 gases, in under a second without the use of columns. This new data from FTIR, such as specific gravity calculations and molecular ratios, provides insights into formation evaluation and reservoir characterization to better identify sweet spots and optimize well placement. Quantitative fluorescence testing also allows for on-site analysis of oil shows and quantity. When combined with geochemistry analyses like isotopes, this real-time data at the wellsite enables improved geosteering to keep the wellbore in the target zone.
Recommended
Abstract with Work Index
This dissertation uses OpenFOAM to simulate single-phase and two-phase flows. For single-phase flows, it simulates laminar flow in cavities of different geometries and natural, mixed, and forced convection in a heated square cavity. For two-phase flows, it develops a Volume of Fluid model in OpenFOAM to simulate air-water flow in horizontal and sinusoidal pipes. Flow patterns like stratified, slug, plug and annular flow are captured and validated against experiments. Finally, it simulates two-phase flow in a channel representing periodic motion in a wave energy converter.
Hplc vs gc
HPLC and GC are both chromatography techniques used to separate mixtures. HPLC uses high pressure liquid mobile phases to move compounds through a densely packed solid stationary phase column, allowing for separation of fluid mixtures. GC uses an inert gas mobile phase to move vaporized or gaseous compounds through a liquid or polymer stationary phase, making it well-suited for analyzing purity. The major differences between the two techniques are that HPLC uses liquid mobile and solid stationary phases, while GC uses gas mobile and liquid stationary phases, and GC includes a temperature-controlled oven during the separation process.
An artificial intelligence based improved classification of two-phase flow patte...
Flow pattern recognition is necessary to select design equations for finding operating details of the process and to perform computational simulations. Visual image processing can be used to automate the interpretation of patterns in two-phase flow. In this paper, an attempt has been made to improve the classification accuracy of the flow pattern of gas/ liquid two- phase flow using fuzzy logic and Support Vector Machine (SVM) with Principal Component Analysis (PCA). The videos of six different types of flow patterns namely, annular flow, bubble flow, churn flow, plug flow, slug flow and stratified flow are re- corded for a period and converted to 2D images for processing. The textural and shape features extracted using image processing are applied as inputs to various classification schemes namely fuzzy logic, SVM and SVM with PCA in order to identify the type of flow pattern. The results obtained are compared and it is observed that SVM with features reduced using PCA gives the better classification accuracy and computationally less intensive than other two existing schemes. This study results cover industrial application needs including oil and gas and any other gas-liquid two-phase flows.
Gc chromatography
1. This document discusses key concepts in chromatography including retention time, efficiency, theoretical plates, plate height, the van Deemter equation, separation factors, and resolution.
2. It explains the basic components of a gas chromatography system including the carrier gas, column, injector, and detectors. Common carrier gases are helium, nitrogen, and hydrogen while common column types are packed, capillary, and open tubular.
3. The three main types of stationary phases in chromatography are solid adsorbents, liquids coated on solid supports, and bonded stationary phases which are covalently attached to prevent bleeding over time. Key stationary phases include dimethylsiloxane, methyl phenyl siloxane,
Prvs 4b. sizing - fluid characteristics at discharge conditions
This document defines key terms related to PRV sizing and discharge conditions, including critical point, supercritical fluid, sub-cooled liquid, saturated fluid, and non-condensable gas. It also summarizes alternative sizing methods from API STD 520, including equations for homogeneous fluids and two-phase liquid/vapor relief scenarios. Appendix C of API STD 520 provides sizing techniques for systems where the fluid enters the PRV already as a two-phase mixture or flashes into a two-phase mixture during depressurization.
Absorption
- The objective of the experiment was to examine the air pressure differential across a column as a function of air flow rate for different water flow rates down the column.
- Pressure differential was plotted as a function of air flow rate on log-log graph paper for each water flow rate.
- Results were calculated from measurements of differential height and plotted on log-log graphs, showing the relationship between air flow rate and differential pressure for different water flow rates.
Bachman_DFIT_2016-10-26_ForPublication
1. PTA analysis of DFIT tests can provide insights into permeability and SRV behavior by identifying composite permeability zones and late-time unit slopes.
2. Overlaying DFITs from multiple wells using rate-normalized derivative plots allows direct comparison of tests and permeability estimates, even with complex flow regimes. Similar estimated permeabilities from this analysis correspond to similar production profiles.
3. Different PTA extrapolation techniques like linear/radial superposition time plots and generalized ACA plots can be used to estimate fracture closure pressure and gradient, accounting for rate variations without imposing impulse assumptions. Specialized plots are not necessary for PTA analysis.
Advanced Techniques
FTIR analysis provides more accurate gas detection and analysis compared to traditional mudlogging techniques. FTIR can analyze gas composition, including C1-C5 gases, in under a second without the use of columns. This new data from FTIR, such as specific gravity calculations and molecular ratios, provides insights into formation evaluation and reservoir characterization to better identify sweet spots and optimize well placement. Quantitative fluorescence testing also allows for on-site analysis of oil shows and quantity. When combined with geochemistry analyses like isotopes, this real-time data at the wellsite enables improved geosteering to keep the wellbore in the target zone.
Packed bed flooding
The document discusses packed column design parameters including packing factor (Fp), kinematic viscosity (ν), C-factor (CS), capacity factor (CP), and flow parameter (FLG). It summarizes pressure drop correlations from the Generalized Pressure Drop Correlation (GPDC) and modifications by Kister and Gill. It also discusses methods for determining flood point from the flood pressure drop equation and notes alternative methods for predicting flood and pressure drop.
Gas lift cad-model-project report
Gas lift system is optimized by use of PVT data combined with fluid and multiphase flow correlations. The aim of project is to develop a generalized program that eliminate the use of synthetic Gradient curves and sensitivity of system with respect to each parameter can be analyzed easily. The project is mainly based on two pressure gradient models; one is single phase flow of compressible fluids (gas) and second is multi-phase correlation developed by Hagedorn and Brown3 including Griffith correction4 of bubble flow particularly for vertical wellbores. Different but appropriate PVT correlations are adopted to suit the condition. The project is divided into two parts, first is developing single Gas lift diagram and second is multiple Gas lift diagrams which facilitate to derive Equilibrium curve, usually use to have idea of unloading valves at different depths with varying flowrates
Group Project- An extract from original report
1. PVT analysis was carried out on samples from three wells to determine reservoir properties like bubble point pressure, solution gas-oil ratio, oil composition and volume factors. The analysis found the oil to have a stock tank gravity of 33.9-34.1 API and be mainly composed of methane and heptanes+.
2. Core data from three wells was analyzed statistically to find average porosity and permeability ranges of 15-21% and 210-350mD respectively. Capillary pressure and relative permeability curves were also generated from core and SCAL data.
3. Normalization of capillary pressure data using the modified Leverett J-function allowed the creation of a single curve for use in reservoir modeling
Phase Equilibria
1) The document discusses phase equilibria and phase diagrams, including definitions of key terms like phase, component, and degrees of freedom.
2) It provides examples of phase diagrams for one-component systems like water, which has three phases (ice, liquid water, vapor) in equilibrium, and sulphur, which has four phases.
3) Details are given on important features of phase diagrams like melting curves, vaporization curves, triple points, and how to apply Gibbs phase rule to analyze systems.
SPE174454_2015-06-08_1
1. Pressure transient analysis (PTA) can be used to interpret mini-frac tests and identify flow regimes like pre-closure linear flow and composite permeability flow.
2. PTA provides more reliable results than traditional G-function analysis, which can give erroneous or no results for some cases.
3. PTA identifies closure pressures more accurately than G-function analysis by determining the transition between flow regimes like linear flow and composite permeability flow.
CHE451- CO2 Absorption Oral Report
The document summarizes an experiment studying factors that affect CO2 absorption in a NaOH solution. The experiment tested how absorption is affected by flow rate of CO2 gas, CO2 concentration, volume of NaOH solution, and pH. Absorption increased with lower flow rates, higher NaOH volumes, and higher pH. The results supported theories that more CO2 absorbs at higher pressures and NaOH concentrations. Future studies could optimize flow rates to maximize both absorption capacity and breakthrough time.
Q913 rfp w3 lec 10
This document provides an overview of key concepts for performing phase equilibrium calculations on reservoir fluids, including:
1) Cubic equations of state and properties required for components in mixtures like critical temperature, pressure, and acentric factor.
2) Calculating these properties for hydrocarbon components and lumping heavier fractions into pseudocomponents.
3) Using equations of state to relate fugacity coefficients to vapor-liquid equilibrium and calculate K-factors for flash calculations.
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...Integrated Carbon Observation System (ICOS)
This document discusses the measurement standards for carbon dioxide and carbonate system variables at ICOS ocean observation stations. It finds that to meet the long-term "climate goal" of assessing trends with confidence, measurements are needed to directly observe variables like dissolved inorganic carbon and total alkalinity within certain uncertainty thresholds, rather than calculating them from other variables. Using two variables to indirectly calculate a third, like calculating fCO2 from pH and another variable, results in greater uncertainties than desired, especially for the shorter-term "weather goal" of characterizing patterns and variability. Direct measurement is preferable to calculation for achieving ICOS's observation precision goals.Q913 rfp w3 lec 11
This document provides an overview of reservoir fluid properties and flash calculations. It covers topics such as cubic equations of state used to model real gases, non-cubic equations of state, equations of state for mixtures, and modeling hydrocarbons. The document then focuses on flash calculations, which are used to determine the composition and amounts of hydrocarbon liquid and gas that coexist at reservoir conditions. It discusses PT flash processes, equilibrium ratios, calculating mixture saturation points, and using equations of state to model phase behavior.
Q922+rfp+l10 v1
The document discusses laboratory analysis techniques for gas condensate systems, including recombination and analysis of separator samples, constant-composition expansion tests, and constant-volume depletion tests. It describes the procedures for these various laboratory experiments in detail, including determining fluid properties like compressibility factors and calculating quantities like retrograde liquid saturation and cumulative gas production. The goal is to better understand the pressure-volume-temperature behavior and compositional changes that occur during depletion of a gas condensate reservoir.
HDMICS Koutsiaris 2009
This document presents a velocity profile equation for blood flow in small arterioles and venules of small mammals in vivo. The equation includes two bluntness parameters, κ1 and κ2, which allow for better fitting of experimental velocity profile data compared to equations with a single parameter. The equation satisfies the assumptions of axisymmetric flow in cylindrical tubes, zero velocity at the wall, and a blunter than parabolic profile. The equation is evaluated based on 17 previously published velocity profiles from mice, rats and rabbits, with diameters ranging from 17 to 38.6 μm. Correlation coefficients for fitting the profiles were over 0.96, and estimated volume flow errors were low, indicating the equation can accurately describe microvascular velocity profiles
Q913 rfp w1 lec 3
This document discusses compositional analysis of reservoir fluid samples. It describes how bottom hole and separator samples are taken and analyzed in the lab using gas chromatography and true boiling point distillation. Quality control checks are important to ensure samples are representative, such as verifying bottom hole samples are single-phase and separator oil and gas phase envelopes intersect at separator conditions. The ratio of component mole fractions in separator phases, known as the K-factor, is also used for quality control.
Phase diagram of a one component system ( water system )
This document discusses phase diagrams and the phase rule through the example of a one-component water system. It defines key terms like phase, component, degree of freedom, and phase rule. It then explains the different areas and curves in the phase diagram of water, including that the liquid-vapor, ice-vapor, and ice-liquid curves represent univariant systems while the areas represent bivariant systems. It also notes the unique properties of the ice-liquid curve and the triple point where ice, liquid water, and vapor coexist in equilibrium.
Q921 rfp lec10 v1
The document discusses the differential liberation (vaporization) test, which simulates the separation process that occurs as reservoir fluids flow from the reservoir to the surface. The test involves gradually reducing the pressure in a visual PVT cell containing a reservoir oil sample and measuring the volume of gas liberated at each step. Key data collected includes the amount of gas in solution, oil volume shrinkage, gas composition and properties, and remaining oil density as functions of pressure. Differential oil formation volume factors and solution gas-oil ratios are calculated from the experimental data but must not be confused with actual PVT properties due to the test simulating differential behavior.
Q913 rfp w3 lec 9
This document provides an overview of equations of state (EoS) models for characterizing reservoir fluids. It discusses several commonly used cubic EoS models including the van der Waals, Redlich-Kwong, Soave-Redlich-Kwong (SRK), and Peng-Robinson (PR) equations. It also covers the application of EoS models to mixtures and the characterization of C7+ hydrocarbon components in petroleum fluids. The document is intended as training material for understanding advanced EoS and modeling complex reservoir fluids.
Q913 re1 w1 lec 4
This document covers reservoir engineering concepts related to properties of gas, oil, and water in reservoirs. It discusses key properties like gas compressibility, oil viscosity and density. It explains how to calculate properties of dead oil, saturated oil and undersaturated oil using various correlations. Laboratory analysis and experiments for determining fluid properties are also summarized, including different types of tests. The document provides methods to estimate properties like oil and water viscosity, gas solubility in water, and water compressibility.
Q913 rfp w2 lec 7
The document discusses procedures and results from differential liberation experiments used to characterize reservoir fluids. Key points:
- Differential liberation experiments slowly depressurize a reservoir fluid sample to measure properties like oil and gas volumes, gas composition, and solution gas-oil ratio at different pressures.
- Properties measured include formation volumes factors (Bo and Bg) which indicate volume changes from reservoir to surface conditions, and solution gas-oil ratio (Rs) which provides ratio of gas to oil volumes.
- Trends in Bo, Bg and Rs with pressure provide insight into fluid behavior during production.
2002 DLP_Fluid-Properties-Marhoun2002
This document summarizes a presentation on reservoir fluid properties and their determination. It discusses current methods used to determine properties through experimentation and calculations, and problems related to smoothing experimental data and developing correlations. Specifically, it outlines issues with how differential liberation data is currently adjusted, trends in experimental data, and non-physical trends that can occur in correlations developed with limited data or constrained models. The presentation recommends alternative adjustment methods and using trend tests to evaluate correlations.
Q922+rfp+l06 v1
This document provides an overview of reservoir fluid properties including:
1. Crude oil properties such as density, gas solubility, bubble point pressure, formation volume factor, compressibility, and correlations to calculate these properties.
2. Water properties including water formation volume factor, viscosity, gas solubility in water, and water isothermal compressibility.
3. The total formation volume factor and viscosity of crude oil are also discussed along with definitions of dead-oil, saturated-oil, and undersaturated oil viscosities.
Q913 rfp w3 lec 12, Separators and Phase envelope calculations
This document outlines course material on reservoir fluid properties, separators, and phase envelope calculations. It covers topics such as PT flash processes, mixture saturation points, phase envelope determination using Michelsen's technique, and separator calculations to optimize pressure and determine stock tank oil properties. Examples of phase envelopes are shown for oil and gas condensate mixtures, illustrating properties like critical points. The document provides information to understand fluid behavior relevant to production operations.
Master Thesis Total Oxidation Over Cu Based Catalysts
The evolution in the oxidation state of Cu and Ce in a benchmark catalyst is studied
under different conditions: temperature programmed reduction with propane and hydrogen,
and isothermal reduction with propane and hydrogen.
Analytical methods used involve operando X-ray absorption spectroscopy (XAS) in
transmission mode at the Cu K edge and Ce LIII edge, as well as online mass spectrometry
(MS) at the outlet of the reactor.
Solvent System Selection
1. The document provides information about an upcoming conference on solvent system selection for countercurrent chromatography (CCC) to be held in Chicago in August 2016.
2. It discusses various topics that will be covered at the conference including historic and current solvent systems used in CCC, instrumentation, empirical and rational approaches for solvent system selection, and guidelines for selecting solvent-stationary phase combinations.
3. References are provided for papers on selecting solvent systems for natural product separations by CCC and strategies for solvent system selection.
More Related Content
What's hot
Packed bed flooding
The document discusses packed column design parameters including packing factor (Fp), kinematic viscosity (ν), C-factor (CS), capacity factor (CP), and flow parameter (FLG). It summarizes pressure drop correlations from the Generalized Pressure Drop Correlation (GPDC) and modifications by Kister and Gill. It also discusses methods for determining flood point from the flood pressure drop equation and notes alternative methods for predicting flood and pressure drop.
Gas lift cad-model-project report
Gas lift system is optimized by use of PVT data combined with fluid and multiphase flow correlations. The aim of project is to develop a generalized program that eliminate the use of synthetic Gradient curves and sensitivity of system with respect to each parameter can be analyzed easily. The project is mainly based on two pressure gradient models; one is single phase flow of compressible fluids (gas) and second is multi-phase correlation developed by Hagedorn and Brown3 including Griffith correction4 of bubble flow particularly for vertical wellbores. Different but appropriate PVT correlations are adopted to suit the condition. The project is divided into two parts, first is developing single Gas lift diagram and second is multiple Gas lift diagrams which facilitate to derive Equilibrium curve, usually use to have idea of unloading valves at different depths with varying flowrates
Group Project- An extract from original report
1. PVT analysis was carried out on samples from three wells to determine reservoir properties like bubble point pressure, solution gas-oil ratio, oil composition and volume factors. The analysis found the oil to have a stock tank gravity of 33.9-34.1 API and be mainly composed of methane and heptanes+.
2. Core data from three wells was analyzed statistically to find average porosity and permeability ranges of 15-21% and 210-350mD respectively. Capillary pressure and relative permeability curves were also generated from core and SCAL data.
3. Normalization of capillary pressure data using the modified Leverett J-function allowed the creation of a single curve for use in reservoir modeling
Phase Equilibria
1) The document discusses phase equilibria and phase diagrams, including definitions of key terms like phase, component, and degrees of freedom.
2) It provides examples of phase diagrams for one-component systems like water, which has three phases (ice, liquid water, vapor) in equilibrium, and sulphur, which has four phases.
3) Details are given on important features of phase diagrams like melting curves, vaporization curves, triple points, and how to apply Gibbs phase rule to analyze systems.
SPE174454_2015-06-08_1
1. Pressure transient analysis (PTA) can be used to interpret mini-frac tests and identify flow regimes like pre-closure linear flow and composite permeability flow.
2. PTA provides more reliable results than traditional G-function analysis, which can give erroneous or no results for some cases.
3. PTA identifies closure pressures more accurately than G-function analysis by determining the transition between flow regimes like linear flow and composite permeability flow.
CHE451- CO2 Absorption Oral Report
The document summarizes an experiment studying factors that affect CO2 absorption in a NaOH solution. The experiment tested how absorption is affected by flow rate of CO2 gas, CO2 concentration, volume of NaOH solution, and pH. Absorption increased with lower flow rates, higher NaOH volumes, and higher pH. The results supported theories that more CO2 absorbs at higher pressures and NaOH concentrations. Future studies could optimize flow rates to maximize both absorption capacity and breakthrough time.
Q913 rfp w3 lec 10
This document provides an overview of key concepts for performing phase equilibrium calculations on reservoir fluids, including:
1) Cubic equations of state and properties required for components in mixtures like critical temperature, pressure, and acentric factor.
2) Calculating these properties for hydrocarbon components and lumping heavier fractions into pseudocomponents.
3) Using equations of state to relate fugacity coefficients to vapor-liquid equilibrium and calculate K-factors for flash calculations.
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...Integrated Carbon Observation System (ICOS)
This document discusses the measurement standards for carbon dioxide and carbonate system variables at ICOS ocean observation stations. It finds that to meet the long-term "climate goal" of assessing trends with confidence, measurements are needed to directly observe variables like dissolved inorganic carbon and total alkalinity within certain uncertainty thresholds, rather than calculating them from other variables. Using two variables to indirectly calculate a third, like calculating fCO2 from pH and another variable, results in greater uncertainties than desired, especially for the shorter-term "weather goal" of characterizing patterns and variability. Direct measurement is preferable to calculation for achieving ICOS's observation precision goals.Q913 rfp w3 lec 11
This document provides an overview of reservoir fluid properties and flash calculations. It covers topics such as cubic equations of state used to model real gases, non-cubic equations of state, equations of state for mixtures, and modeling hydrocarbons. The document then focuses on flash calculations, which are used to determine the composition and amounts of hydrocarbon liquid and gas that coexist at reservoir conditions. It discusses PT flash processes, equilibrium ratios, calculating mixture saturation points, and using equations of state to model phase behavior.
Q922+rfp+l10 v1
The document discusses laboratory analysis techniques for gas condensate systems, including recombination and analysis of separator samples, constant-composition expansion tests, and constant-volume depletion tests. It describes the procedures for these various laboratory experiments in detail, including determining fluid properties like compressibility factors and calculating quantities like retrograde liquid saturation and cumulative gas production. The goal is to better understand the pressure-volume-temperature behavior and compositional changes that occur during depletion of a gas condensate reservoir.
HDMICS Koutsiaris 2009
This document presents a velocity profile equation for blood flow in small arterioles and venules of small mammals in vivo. The equation includes two bluntness parameters, κ1 and κ2, which allow for better fitting of experimental velocity profile data compared to equations with a single parameter. The equation satisfies the assumptions of axisymmetric flow in cylindrical tubes, zero velocity at the wall, and a blunter than parabolic profile. The equation is evaluated based on 17 previously published velocity profiles from mice, rats and rabbits, with diameters ranging from 17 to 38.6 μm. Correlation coefficients for fitting the profiles were over 0.96, and estimated volume flow errors were low, indicating the equation can accurately describe microvascular velocity profiles
Q913 rfp w1 lec 3
This document discusses compositional analysis of reservoir fluid samples. It describes how bottom hole and separator samples are taken and analyzed in the lab using gas chromatography and true boiling point distillation. Quality control checks are important to ensure samples are representative, such as verifying bottom hole samples are single-phase and separator oil and gas phase envelopes intersect at separator conditions. The ratio of component mole fractions in separator phases, known as the K-factor, is also used for quality control.
Phase diagram of a one component system ( water system )
This document discusses phase diagrams and the phase rule through the example of a one-component water system. It defines key terms like phase, component, degree of freedom, and phase rule. It then explains the different areas and curves in the phase diagram of water, including that the liquid-vapor, ice-vapor, and ice-liquid curves represent univariant systems while the areas represent bivariant systems. It also notes the unique properties of the ice-liquid curve and the triple point where ice, liquid water, and vapor coexist in equilibrium.
Q921 rfp lec10 v1
The document discusses the differential liberation (vaporization) test, which simulates the separation process that occurs as reservoir fluids flow from the reservoir to the surface. The test involves gradually reducing the pressure in a visual PVT cell containing a reservoir oil sample and measuring the volume of gas liberated at each step. Key data collected includes the amount of gas in solution, oil volume shrinkage, gas composition and properties, and remaining oil density as functions of pressure. Differential oil formation volume factors and solution gas-oil ratios are calculated from the experimental data but must not be confused with actual PVT properties due to the test simulating differential behavior.
Q913 rfp w3 lec 9
This document provides an overview of equations of state (EoS) models for characterizing reservoir fluids. It discusses several commonly used cubic EoS models including the van der Waals, Redlich-Kwong, Soave-Redlich-Kwong (SRK), and Peng-Robinson (PR) equations. It also covers the application of EoS models to mixtures and the characterization of C7+ hydrocarbon components in petroleum fluids. The document is intended as training material for understanding advanced EoS and modeling complex reservoir fluids.
Q913 re1 w1 lec 4
This document covers reservoir engineering concepts related to properties of gas, oil, and water in reservoirs. It discusses key properties like gas compressibility, oil viscosity and density. It explains how to calculate properties of dead oil, saturated oil and undersaturated oil using various correlations. Laboratory analysis and experiments for determining fluid properties are also summarized, including different types of tests. The document provides methods to estimate properties like oil and water viscosity, gas solubility in water, and water compressibility.
Q913 rfp w2 lec 7
The document discusses procedures and results from differential liberation experiments used to characterize reservoir fluids. Key points:
- Differential liberation experiments slowly depressurize a reservoir fluid sample to measure properties like oil and gas volumes, gas composition, and solution gas-oil ratio at different pressures.
- Properties measured include formation volumes factors (Bo and Bg) which indicate volume changes from reservoir to surface conditions, and solution gas-oil ratio (Rs) which provides ratio of gas to oil volumes.
- Trends in Bo, Bg and Rs with pressure provide insight into fluid behavior during production.
2002 DLP_Fluid-Properties-Marhoun2002
This document summarizes a presentation on reservoir fluid properties and their determination. It discusses current methods used to determine properties through experimentation and calculations, and problems related to smoothing experimental data and developing correlations. Specifically, it outlines issues with how differential liberation data is currently adjusted, trends in experimental data, and non-physical trends that can occur in correlations developed with limited data or constrained models. The presentation recommends alternative adjustment methods and using trend tests to evaluate correlations.
Q922+rfp+l06 v1
This document provides an overview of reservoir fluid properties including:
1. Crude oil properties such as density, gas solubility, bubble point pressure, formation volume factor, compressibility, and correlations to calculate these properties.
2. Water properties including water formation volume factor, viscosity, gas solubility in water, and water isothermal compressibility.
3. The total formation volume factor and viscosity of crude oil are also discussed along with definitions of dead-oil, saturated-oil, and undersaturated oil viscosities.
Q913 rfp w3 lec 12, Separators and Phase envelope calculations
This document outlines course material on reservoir fluid properties, separators, and phase envelope calculations. It covers topics such as PT flash processes, mixture saturation points, phase envelope determination using Michelsen's technique, and separator calculations to optimize pressure and determine stock tank oil properties. Examples of phase envelopes are shown for oil and gas condensate mixtures, illustrating properties like critical points. The document provides information to understand fluid behavior relevant to production operations.
What's hot (20)
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...
Steinhoff, Tobias: Uncertainty analysis for calculations of the marine carbon...
Phase diagram of a one component system ( water system )
Phase diagram of a one component system ( water system )
Q913 rfp w3 lec 12, Separators and Phase envelope calculations
Q913 rfp w3 lec 12, Separators and Phase envelope calculations
Similar to Water Sept05
Master Thesis Total Oxidation Over Cu Based Catalysts
The evolution in the oxidation state of Cu and Ce in a benchmark catalyst is studied
under different conditions: temperature programmed reduction with propane and hydrogen,
and isothermal reduction with propane and hydrogen.
Analytical methods used involve operando X-ray absorption spectroscopy (XAS) in
transmission mode at the Cu K edge and Ce LIII edge, as well as online mass spectrometry
(MS) at the outlet of the reactor.
Solvent System Selection
1. The document provides information about an upcoming conference on solvent system selection for countercurrent chromatography (CCC) to be held in Chicago in August 2016.
2. It discusses various topics that will be covered at the conference including historic and current solvent systems used in CCC, instrumentation, empirical and rational approaches for solvent system selection, and guidelines for selecting solvent-stationary phase combinations.
3. References are provided for papers on selecting solvent systems for natural product separations by CCC and strategies for solvent system selection.
Transfer velocities for a suite of trace gases of emerging biogeochemical im...
Authors M. T. Johnson, P. S. Liss, T.G. Bell and C.Hughes and J. Woeltjen
Paper given at the 6th International Symposium on Gas Transfer at Water Surfaces, Kyoto, Japan, May 2010.
Calculating the air-sea flux of any trace gas: transfer velocity, chemical e...
This document discusses methods for calculating the air-sea flux of trace gases, including accounting for chemical enhancement effects. It describes the two-layer model of gas exchange and parameters that influence transfer velocities in the air and water phases, such as wind speed, temperature, solubility, and gas diffusion rates. The document also addresses sources of uncertainty in flux calculations and situations where chemical reactions in water may enhance or inhibit gas transfer rates relative to classical models.
Snehesh-Presentation-PDF
This document discusses combustion synthesized cobalt catalysts for converting syngas to liquid fuels via the Fischer-Tropsch reaction. It provides an introduction to the motivation and need for biomass to liquid fuel processes. It then reviews relevant literature on the Fischer-Tropsch process, catalysts used, and reactor types. The literature review establishes the desired properties for an effective Fischer-Tropsch catalyst and how synthesis parameters like metal loading, crystallite size, and degree of reduction impact activity and selectivity.
Super Critical Fluid Separation Process
Hello Guys here is a presentation for you named super critical fluid separation process. It may be useful for third year undergraduate of chemical engg. stream. so have a look ,i hope it may be helpful for your project
Control loop configuration of interacting units
What is an Interacting Unit?
Several units interact with each other through material or energy flows.
How to determine the feasible loop configuration in interacting units?
Steps:
Divide the process into separate blocks.
Determine the degree of freedom and no of controlled and manipulated variables for each block.
Determine the feasible loop configurations for each and every block.
Recombine the blocks with their loop configurations.
Eliminate the conflicts among the control system of the various blocks.
Control loop configuration of interacting units
What is an Interacting Unit?
Several units interact with each other through material or energy flows.
How to determine the feasible loop configuration in interacting units?
Steps:
Divide the process into separate blocks.
Determine the degree of freedom and no of controlled and manipulated variables for each block.
Determine the feasible loop configurations for each and every block.
Recombine the blocks with their loop configurations.
Eliminate the conflicts among the control system of the various blocks.
Math modelled approach to gas-exchange monitoring
mathematical modelled approach to gas exchange monitoring.
overview of one parameter models and description of Sapsford and Kjaergaard's two parameter models.computer algorithm in assessing gas exchange at the bedside in a MIGET fashion. prediction of hypoxemia and full description of gas exchange through models that fit perfectly to patient data.
L18b Deducing mechanisms example problems.pptx
- The document provides information on chemical vapor deposition (CVD) growth of silicon and germanium films, including elementary surface reactions and rate equations.
- It also discusses catalyst deactivation kinetics and models, types of catalyst deactivation including sintering, fouling, and poisoning. Equations are provided for modeling the decay in catalyst activity over time.
- The document reviews the design and modeling of a moving-bed reactor, where catalyst deactivation occurs and spent catalyst is continuously regenerated while maintaining steady-state operation. Rate equations are developed to model the reactor performance.
Methanol Steam Reforming in Pd-Ag Membrane Reactor for High Purity Hydrogen G...
The document summarizes Sameer Israni's research on methanol steam reforming in a palladium-silver membrane reactor. Key points:
1) Experiments and modeling were conducted to understand the effects of various species on hydrogen flux through Pd-Ag membranes during methanol steam reforming. Surface poisoning was found to be the main cause of reduced flux.
2) A packed bed membrane reactor with a single Pd-Ag fiber was tested and modeled. Higher temperatures and pressures led to increased hydrogen utilization and productivity.
3) A 3D model was developed to simulate large-scale multi-fiber membrane reactors and understand the effects of design parameters on productivity.
CondensateFeedwaterSystem Part1.ppt
The document outlines the key components of a condensate-feedwater system for a steam power plant. It discusses condensers, which condense exhaust steam to recover high-quality feedwater. There are two main types of condensers: direct-contact and surface condensers. It also discusses feedwater heaters, which heat condensate and feedwater to improve cycle efficiency, and boilers, which produce high-pressure steam. The document provides diagrams of typical condensate-feedwater systems and outlines calculations for designing surface condensers.
Open channel flow
This document discusses open channel flow, including:
1) Key parameters like hydraulic radius, channel roughness, and types of flow profiles.
2) Empirical equations for open channel flow including Chezy and Manning's equations.
3) Concepts of critical flow including critical depth, specific energy, and the importance of the Froude number.
4) Measurement techniques for discharge like weirs and sluice gates.
5) Gradually and rapidly varied flow, water surface profiles, and hydraulic jumps.
Lc training basic_hplc_20_a modifi
This document provides an overview of high performance liquid chromatography (HPLC). It discusses the basic principles of chromatography and various HPLC modes, including normal phase, reversed phase, ion exchange, and size exclusion chromatography. The document also describes HPLC system components like pumps, injectors, columns, ovens, and detectors. It explains isocratic and gradient elution modes and discusses the instrumentation, functions, and advantages of various HPLC detectors.
Phase equilibrium studies of impure CO2 systems to underpin developments of C...
Phase equilibrium studies of impure CO2 systems to underpin developments of C...UK Carbon Capture and Storage Research Centre
The document discusses phase equilibrium studies of impure carbon dioxide systems relevant to carbon capture and storage technologies. It presents new vapor-liquid equilibrium and solubility data for binary and ternary mixtures of CO2, N2, H2, and H2O measured using high-pressure facilities. The data aims to expand understanding of thermodynamic properties to inform the design of CO2 compression, pipeline transport, and the presence of impurities like H2 which increase the pressure required for a homogeneous CO2 phase. Equations of state are evaluated against the experimental data.Tomographic inverse estimation of aquifer properties based on pressure varia...
Tomographic inverse estimation of aquifer properties based on pressure varia...Velimir (monty) Vesselinov
Vesselinov, V.V., Harp, D., Koch, R., Birdsell, K., Katzman, K., Tomographic inverse estimation of aquifer properties based on pressure variations caused by transient water-supply pumping, <em>AGU Meeting</em>, San Francisco, CA, December 15-19, 2008.Summer Internship Report At Ril
The document summarizes core analysis techniques including coring operations, laboratory analysis, and methods to estimate properties like water saturation and generate relative permeability curves. It discusses coring methods, laboratory experiments for routine and special core analysis, hydraulic unitization to characterize the reservoir based on flow behavior, and techniques to estimate water saturation from capillary pressure data and generate relative permeability curves from the same. The reservoir was characterized into 7 hydraulic units with the gas zone mostly composed of HU 5 and oil zone of HU 3 based on their average porosity and permeability. Issues with estimating water saturation profiles due to heterogeneity were also highlighted.
110510 tracers in heavy oil
The document discusses challenges with using tracer technology to study heavy oil reservoirs. It provides an overview of tracer types including passive tracers that follow fluid phases and active tracers that interact with the system. Challenges are presented for tracer use in heavy oil recovery methods like CSS, THAI, SAGD and VAPEX. New tracer types are needed that can withstand high temperatures and be stable against biodegradation.
PRINCIPLE , INSTRUMENTATION & APPLICATION OF SUPER CRITICAL FLUID CHROMATOGRAPHY
PRINCIPLE , INSTRUMENTATION & APPLICATION OF SUPER CRITICAL FLUID CHROMATOGRAPHYCollege of Pharmacy,Sri Ramakrishna Institute of Paramedical Sciences,Coimbatore
This document discusses supercritical fluid chromatography (SFC). SFC uses supercritical fluids like carbon dioxide as the mobile phase. Carbon dioxide is most widely used as it is non-toxic, inexpensive, and has a critical temperature and pressure that are easily reached. SFC works on the principles of adsorption and partition chromatography. It can be used to analyze and purify low to moderate weight compounds, including chiral separations. SFC instrumentation includes pumps to deliver the mobile phase, an oven for temperature control, various injectors, columns, a backpressure regulator, and detectors. SFC finds applications in fields like pharmaceuticals and has advantages over HPLC like using less toxic solvents.Use of Solid Core Chromatography for the Analysis of Pharmaceutical Compounds
Use of Solid Core Chromatography for the Analysis of Pharmaceutical CompoundsChromatography & Mass Spectrometry Solutions
In the pharmaceutical arena there is great interest in solid core technology, where there is a broad range of sample types as well as requirements throughout the process of developing new chemical entities. The presentation looks at how solid core technology can be readily adapted to cope with the challenges associated with the pharmaceutical sector, looking at various sample matrices and molecular entities, from small molecules to large biomolecules. The presentation gives an insight into how varying the solid core to porous layer allows the user to optimize separation performance by reducing extra band broadening. Data presented demonstrates how this technology is more robust than fully porous systems when analyzing biological extracts, routinely used in DMPK departments, resulting in longer column lifetimes.
Similar to Water Sept05 (20)
Master Thesis Total Oxidation Over Cu Based Catalysts
Master Thesis Total Oxidation Over Cu Based Catalysts
Transfer velocities for a suite of trace gases of emerging biogeochemical im...
Transfer velocities for a suite of trace gases of emerging biogeochemical im...
Calculating the air-sea flux of any trace gas: transfer velocity, chemical e...
Calculating the air-sea flux of any trace gas: transfer velocity, chemical e...
Methanol Steam Reforming in Pd-Ag Membrane Reactor for High Purity Hydrogen G...
Methanol Steam Reforming in Pd-Ag Membrane Reactor for High Purity Hydrogen G...
Phase equilibrium studies of impure CO2 systems to underpin developments of C...
Phase equilibrium studies of impure CO2 systems to underpin developments of C...
Tomographic inverse estimation of aquifer properties based on pressure varia...
Tomographic inverse estimation of aquifer properties based on pressure varia...
PRINCIPLE , INSTRUMENTATION & APPLICATION OF SUPER CRITICAL FLUID CHROMATOGRAPHY
PRINCIPLE , INSTRUMENTATION & APPLICATION OF SUPER CRITICAL FLUID CHROMATOGRAPHY
Use of Solid Core Chromatography for the Analysis of Pharmaceutical Compounds
Use of Solid Core Chromatography for the Analysis of Pharmaceutical Compounds
More from University of Minnesota Rochester
Chemistry Gamification - Edulearn 2014
Introductory chemistry and other undergraduate first-year science courses involve some topics that need first to be mastered before students can address higher-order thinking problems. One could say that students need to first learn the language of that scientific discipline before they can express themselves in that language. In chemistry, for example, it is necessary to master low-order skills such as chemistry nomenclature, common oxidation states, memorizing the amino acids or identify the strength of common acids and bases before one can solve some higher-order problems. These kind of low-order skills are typically repetitive and students have a hard time being engaged and achieve the desired mastery level. A solution to this problem is imple gamification, that is, to design more engaging game-like activities to achieve the desired goal.
We are presenting a set of web-based game-like activities developed by students themselves. Game-like activities can be thought as the perfect active learning activity since they show clear goals, give immediate feedback and, if designed well and aligned with the course learning objectives, are engaging and improve retention.
Some of our students who had already taken the introductory chemistry course or who were taking it concurrently, took a semester to learn some basics of Javascript and web design to develop their own game-like activities. Having students designing the activities has resulted in a win-win situation for both instructors and students. The instructors have engaging game-like tools to be used in forthcoming courses and students learn some programming and find it rewarding to create from scratch their own games that other students may use.
We will also report how we developed an open repository of chemistry data to be used both for low-order skills such as the online games mentioned above, but also for higher-order thinking and self-regulated learning. The same set of molecules and molecular properties are used for both purposes and it is open access to everyone available at http://chemdata.r.umn.edu.
ChemEd X Data - BCCE 2014
This document summarizes a presentation about ChemEd X Data, an open web platform containing chemical data to support student learning. The platform contains unstructured data on elements, compounds, and reactions that students can explore to discover trends. It aims to move beyond static pre-cooked data by allowing students to choose data, identify patterns, and find exceptions. The document describes how the data is organized and can be visualized. It also discusses early findings that show the platform improves students' abilities to design experiments, draw conclusions from evidence, and identify exceptions. The overall goal is to enhance higher-order thinking skills.
Chile 2015 - Chemistry learning and technology (Spanish) - UNAB
La disponibilidad de grandes cantidades de información en internet y la proliferación de herramientas pedagógicas en computadora ha multiplicado las posibilidades para mejorar el aprendizaje en química y a su vez ha incrementado los peligros que el mal uso de estas pueden acarrear.
En esta charla vamos a considerar qué conceptos y aptitudes en el temario de cursos introductorios de química pueden beneficiarse de las herramientas online. Primero vamos a describir qué herramientas interactivas pueden ayudar a entender y predecir la estructura molecular (http://chemdata.r.umn.edu/jmol/). También describiremos plataformas web para comprender el carácter dinámico del mundo molecular. Estas simulaciones se pueden usar tanto como demostración en clase, actividades para laboratorio virtual o como tarea fuera de clase.
En la segunda parte de la charla nos preguntaremos si la presencia de internet ha cambiado los fundamentos del aprendizaje en química. En particular, cuando la información abunda y su acceso es instantáneo, la memorización es menos importante y los estudiantes tienen que saber navegar grandes cantidades de datos, encontrar pautas y excepciones por si solos (J. Chem. Educ., 2014, 91 (9), pp 1501–1504).
Por ejemplo, se ha dicho que la esencia del saber química es juzgar entre influencias en conflicto ya que rara vez una única propiedad decide el resultado de un cambio físico o químico. Ejemplos en química general donde hay conflicto de influencias son la periodicidad de elementos químicos, factores que afectan el punto de ebullición de compuestos o incluso la predicción de la configuración electrónica de elementos. En todos estos ejemplos, los alumnos pueden explorar resultados experimentales y encontrar por si solos cuales son los factores más relevantes en cada caso. Los alumnos también descubren excepciones y entienden que es igual de importante entender el poder predictivo de una ley científica como los límites de esta.
El saber reconocer un experimento controlado e identificar evidencias sin prejuicio alguno es una aptitud que trasciende el ámbito de la química y tiene relevancia para toda persona que aspire a ser un ciudadano activo en una sociedad participativa.
Chile 2015 - Active learning and technology (Spanish) - UNAB
Está ya todo inventado en las metodologías de la enseñanza?
Entre las estrategias más conservadoras dónde el alumno es pasivo durante la lección y las posiciones más rompedoras donde el alumno marca el ritmo y contenido de la clase hay un gran abanico de posibilidades. Ni todo lo que se ha hecho hasta ahora está mal, ni todo lo nuevo es mejor. Lo que está claro es que la presencia de internet y su abundancia de información y herramientas no puede dejar a nadie indiferente y cabe preguntarse qué lugar debe ocupar la tecnología informática en la educación.
En este taller daremos una visión rápida y generalizada a las diferentes estrategias para involucrar al alumno durante el tiempo de clase sin que se tenga que sacrificar ni el nivel del curso ni los objetivos de contenido. Vamos a poner especial énfasis en métodos tecnológicos “open source” o gratuitos que pueden ayudar al alumno para que venga más preparado a clase, participe más en clase y practique más fuera de ella. A su vez, también, hablaremos de herramientas de análisis para que el profesor sepa en todo momento el rendimiento de sus alumnos o pueda llevar a cabo estudios longitudinales donde se analizan datos a lo largo de varios cursos o de todo un grado.
UMR - My ongoing projects with Technology - Rochester - 2015
In this talk I will summarize my several attempts to introduce to students the basics of computer programming in a degree in Health Science. While the curriculum at the BSHS does not align very well with computer science content, the learning of a computer language addresses some essential higher-order thinking skills that bring cognitive benefits to the student as well as practical skills for their professional careers.
In the second half of the talk I will navigate four years of student data in General Chemistry with our in-house developed learning analytics tool BoSCO (Browser of Student and Course Objects). Rather than an intensive statistical analysis tool, BoSCO allows an “intentional browsing” of student data and it can be understood as a hypothesis generating tool that creates questions rather than giving a definitive answer or evidence. In particular, we will look at student performance in different types of assignments of the General Chemistry curriculum throughout the years filtered by different demographics criteria. More specifically, we will use the SLICE approach (Showing Longitudinal Interactions of Course Events) to bundle grades from different assignments or courses to quantify the learning of a specific skill.
Elearning Summit 2015 - BoSCO - Minneapolis
The disconnect between data collection and analysis across sectors of academic institutions makes it challenging to incorporate data into curricular design. Understanding the factors related to student persistence and success is unlikely to occur by focusing only on one sector at a time. Facilitating evidence-based course design might begin with the creation of a tool that allows real-time exploration of data across sectors for integration into the traditional course/curricular design. Our paper describes how data from institutional, learning, and what we call “developmental” analytics can be incorporated into course and curricular design by using a purposefully built analysis tool that permits the exploration of student and course objects. This Browser of Student and Course Objects (BoSCO) is being built in a faculty driven-process and can be used as a bridge between the analytics space and the course/curriculum design environments.
Xavier Prat-Resina has a PhD in Physical Chemistry. He is a faculty member at the “Center for Learning Innovation” in the UofM Rochester campus. His interests are the design of web materials to enhance student learning and to analyze student and course data to optimize the academic curriculum.
-It takes institutional, learning and developmental data to assess a curriculum.
-BoSCO is an agile tool that may encourage teachers to use analytics for course and curricular design.
-Evidence-based course design requires the involvement of many sectors of the academic institution.
Ecrice - ChemEd X Data - Barcelona - 2016 talk
In the General Chemistry curriculum there are several instances in which students are asked to judge between conflicting factors to decide an outcome. In fact, some have identified “the skill to judge between conflicting influences” as the essence of chemistry that all chemistry students should learn. To that aim I wrote the ChemEd X Data web interface1 (http://chemdata.r.umn.edu/chemedXdata/). The main pedagogical objective of the website is to allow students to navigate, select and graphically represent data such as boiling and melting points, enthalpies of combustion and heat capacities for hundreds of molecules. By doing so, students can independently identify correlations between magnitudes, laws, and outliers. One of the merits of this tool is that it may help students recognize situations when conflicting influences play a role (e.g. molecular weight, shape and dipole effect on boiling point). Identifying conflicting influences empowers students with analytical skills that will lead them to higher-order thinking and self-regulated learning.
Talk Jan05
The document summarizes a study of the reaction mechanism of mandelate racemase using quantum mechanics/molecular mechanics (QM/MM) modeling. It finds that the enzyme stabilizes the transition state of the reaction relative to reactants through electrostatic interactions with active site residues such as Lys166 and His297. This stabilization lowers the reaction's energy barrier compared to the uncatalyzed reaction in water.
Cytochrome c Oxidase Jan06
The document summarizes research on the reaction mechanism of cytochrome c oxidase (CcO).
1) It describes simulations conducted to analyze the role of Glu242 and surrounding waters in proton transport and pumping. Calculations show Glu242's pK is higher in the ND98 mutant, explaining its impaired pumping.
2) Calculations were also conducted to determine His291's pK, though more work is needed to accurately model the copper site and quantify changes in pK under different ligation states.
3) Overall the research aims to better understand proton transport and coupling between chemical and physical sites in CcO through quantitative simulations and pK calculations.
HPRnase
1. The document discusses molecular simulations comparing the human pancreatic ribonuclease (HP-RNase) to ribonuclease A (RNase A) to understand their differences in substrate binding and catalysis.
2. Experimental results show that HP-RNase preferentially cleaves substrates in an endonucleolytic manner, while RNase A shows more exo activity. Molecular dynamics simulations and free energy calculations of the two enzymes were performed.
3. Analysis of distances and free energy calculations revealed that the mutant RNase A had a higher free energy barrier for endonucleolytic cleavage compared to wild type HP-RNase, providing a potential explanation for their different activities.
More from University of Minnesota Rochester (10)
Chile 2015 - Chemistry learning and technology (Spanish) - UNAB
Chile 2015 - Chemistry learning and technology (Spanish) - UNAB
Chile 2015 - Active learning and technology (Spanish) - UNAB
Chile 2015 - Active learning and technology (Spanish) - UNAB
UMR - My ongoing projects with Technology - Rochester - 2015
UMR - My ongoing projects with Technology - Rochester - 2015
Recently uploaded
Income Tax exemption for Start up : Section 80 IAC
A presentation on the concept of Exemption of Profits of Start ups from Income Tax
Evgen Osmak: Methods of key project parameters estimation: from the shaman-in...
Evgen Osmak: Methods of key project parameters estimation: from the shaman-inspired to the data-driven praxis (UA)
Kyiv PMDay 2024 Summer
Website – www.pmday.org
Youtube – https://www.youtube.com/startuplviv
FB – https://www.facebook.com/pmdayconference
2024-6-01-IMPACTSilver-Corp-Presentation.pdf
IMPACT Silver is a pure silver zinc producer with over $260 million in revenue since 2008 and a large 100% owned 210km Mexico land package - 2024 catalysts includes new 14% grade zinc Plomosas mine and 20,000m of fully funded exploration drilling.
Tata Group Dials Taiwan for Its Chipmaking Ambition in Gujarat’s Dholera
The Tata Group, a titan of Indian industry, is making waves with its advanced talks with Taiwanese chipmakers Powerchip Semiconductor Manufacturing Corporation (PSMC) and UMC Group. The goal? Establishing a cutting-edge semiconductor fabrication unit (fab) in Dholera, Gujarat. This isn’t just any project; it’s a potential game changer for India’s chipmaking aspirations and a boon for investors seeking promising residential projects in dholera sir.
Visit : https://www.avirahi.com/blog/tata-group-dials-taiwan-for-its-chipmaking-ambition-in-gujarats-dholera/
Taurus Zodiac Sign: Unveiling the Traits, Dates, and Horoscope Insights of th...
Dive into the steadfast world of the Taurus Zodiac Sign. Discover the grounded, stable, and logical nature of Taurus individuals, and explore their key personality traits, important dates, and horoscope insights. Learn how the determination and patience of the Taurus sign make them the rock-steady achievers and anchors of the zodiac.
Unveiling the Dynamic Personalities, Key Dates, and Horoscope Insights: Gemin...
Explore the fascinating world of the Gemini Zodiac Sign. Discover the unique personality traits, key dates, and horoscope insights of Gemini individuals. Learn how their sociable, communicative nature and boundless curiosity make them the dynamic explorers of the zodiac. Dive into the duality of the Gemini sign and understand their intellectual and adventurous spirit.
Top mailing list providers in the USA.pptx
Discover the top mailing list providers in the USA, offering targeted lists, segmentation, and analytics to optimize your marketing campaigns and drive engagement.
Structural Design Process: Step-by-Step Guide for Buildings
The structural design process is explained: Follow our step-by-step guide to understand building design intricacies and ensure structural integrity. Learn how to build wonderful buildings with the help of our detailed information. Learn how to create structures with durability and reliability and also gain insights on ways of managing structures.
buy old yahoo accounts buy yahoo accounts
As a business owner, I understand the importance of having a strong online presence and leveraging various digital platforms to reach and engage with your target audience. One often overlooked yet highly valuable asset in this regard is the humble Yahoo account. While many may perceive Yahoo as a relic of the past, the truth is that these accounts still hold immense potential for businesses of all sizes.
Dpboss Matka Guessing Satta Matta Matka Kalyan Chart Satta Matka
Dpboss Matka Guessing Satta Matta Matka Kalyan Chart Satta Matka➒➌➎➏➑➐➋➑➐➐Dpboss Matka Guessing Satta Matka Kalyan Chart Indian Matka
Dpboss Matka Guessing Satta Matta Matka Kalyan Chart Indian Matka Indian satta Matka Dpboss Matka Kalyan Chart Matka Boss otg matka Guessing Satta The Evolution and Impact of OTT Platforms: A Deep Dive into the Future of Ent...
This presentation provides a thorough examination of Over-the-Top (OTT) platforms, focusing on their development and substantial influence on the entertainment industry, with a particular emphasis on the Indian market.We begin with an introduction to OTT platforms, defining them as streaming services that deliver content directly over the internet, bypassing traditional broadcast channels. These platforms offer a variety of content, including movies, TV shows, and original productions, allowing users to access content on-demand across multiple devices.The historical context covers the early days of streaming, starting with Netflix's inception in 1997 as a DVD rental service and its transition to streaming in 2007. The presentation also highlights India's television journey, from the launch of Doordarshan in 1959 to the introduction of Direct-to-Home (DTH) satellite television in 2000, which expanded viewing choices and set the stage for the rise of OTT platforms like Big Flix, Ditto TV, Sony LIV, Hotstar, and Netflix. The business models of OTT platforms are explored in detail. Subscription Video on Demand (SVOD) models, exemplified by Netflix and Amazon Prime Video, offer unlimited content access for a monthly fee. Transactional Video on Demand (TVOD) models, like iTunes and Sky Box Office, allow users to pay for individual pieces of content. Advertising-Based Video on Demand (AVOD) models, such as YouTube and Facebook Watch, provide free content supported by advertisements. Hybrid models combine elements of SVOD and AVOD, offering flexibility to cater to diverse audience preferences.
Content acquisition strategies are also discussed, highlighting the dual approach of purchasing broadcasting rights for existing films and TV shows and investing in original content production. This section underscores the importance of a robust content library in attracting and retaining subscribers.The presentation addresses the challenges faced by OTT platforms, including the unpredictability of content acquisition and audience preferences. It emphasizes the difficulty of balancing content investment with returns in a competitive market, the high costs associated with marketing, and the need for continuous innovation and adaptation to stay relevant.
The impact of OTT platforms on the Bollywood film industry is significant. The competition for viewers has led to a decrease in cinema ticket sales, affecting the revenue of Bollywood films that traditionally rely on theatrical releases. Additionally, OTT platforms now pay less for film rights due to the uncertain success of films in cinemas.
Looking ahead, the future of OTT in India appears promising. The market is expected to grow by 20% annually, reaching a value of ₹1200 billion by the end of the decade. The increasing availability of affordable smartphones and internet access will drive this growth, making OTT platforms a primary source of entertainment for many viewers.
2022 Vintage Roman Numerals Men Rings
Discover timeless style with the 2022 Vintage Roman Numerals Men's Ring. Crafted from premium stainless steel, this 6mm wide ring embodies elegance and durability. Perfect as a gift, it seamlessly blends classic Roman numeral detailing with modern sophistication, making it an ideal accessory for any occasion.
https://rb.gy/usj1a2
Anny Serafina Love - Letter of Recommendation by Kellen Harkins, MS.
This letter, written by Kellen Harkins, Course Director at Full Sail University, commends Anny Love's exemplary performance in the Video Sharing Platforms class. It highlights her dedication, willingness to challenge herself, and exceptional skills in production, editing, and marketing across various video platforms like YouTube, TikTok, and Instagram.
Best practices for project execution and delivery
A select set of project management best practices to keep your project on-track, on-cost and aligned to scope. Many firms have don't have the necessary skills, diligence, methods and oversight of their projects; this leads to slippage, higher costs and longer timeframes. Often firms have a history of projects that simply failed to move the needle. These best practices will help your firm avoid these pitfalls but they require fortitude to apply.
-- June 2024 is National Volunteer Month --
Check out our June display of books on voluntary organisations
Industrial Tech SW: Category Renewal and Creation
Every industrial revolution has created a new set of categories and a new set of players.
Multiple new technologies have emerged, but Samsara and C3.ai are only two companies which have gone public so far.
Manufacturing startups constitute the largest pipeline share of unicorns and IPO candidates in the SF Bay Area, and software startups dominate in Germany.
Recently uploaded (20)
Income Tax exemption for Start up : Section 80 IAC
Income Tax exemption for Start up : Section 80 IAC
Evgen Osmak: Methods of key project parameters estimation: from the shaman-in...
Evgen Osmak: Methods of key project parameters estimation: from the shaman-in...
Tata Group Dials Taiwan for Its Chipmaking Ambition in Gujarat’s Dholera
Tata Group Dials Taiwan for Its Chipmaking Ambition in Gujarat’s Dholera
Taurus Zodiac Sign: Unveiling the Traits, Dates, and Horoscope Insights of th...
Taurus Zodiac Sign: Unveiling the Traits, Dates, and Horoscope Insights of th...
Unveiling the Dynamic Personalities, Key Dates, and Horoscope Insights: Gemin...
Unveiling the Dynamic Personalities, Key Dates, and Horoscope Insights: Gemin...
Structural Design Process: Step-by-Step Guide for Buildings
Structural Design Process: Step-by-Step Guide for Buildings
Dpboss Matka Guessing Satta Matta Matka Kalyan Chart Satta Matka
Dpboss Matka Guessing Satta Matta Matka Kalyan Chart Satta Matka
The Evolution and Impact of OTT Platforms: A Deep Dive into the Future of Ent...
The Evolution and Impact of OTT Platforms: A Deep Dive into the Future of Ent...
Anny Serafina Love - Letter of Recommendation by Kellen Harkins, MS.
Anny Serafina Love - Letter of Recommendation by Kellen Harkins, MS.
Water Sept05
- 1. Water a test for SCCdftb/MM Xavier Prat-Resina Friday September 30, 2005 AD
- 2. Summary 1.Bibliography: molecular models of water 2.SCCdftb/MM:
- 3. Modelling water Classical approximations (no explicit treatment of electrons) SP5, EVB (Stillinger, Warshel, Voth, Tuckerman) Full QM systems Lagrangian: CPMD (Parrinello, Pratt), ADMP(Voth,Iyengar) Linear Scaling: Siesta, Divide and Conquer QM/MM Ab initio/MM: Rode neutral water, acid, basic, autoionization, phase transition SCCdftb/MM: Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 4. Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 5. Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 9. Build a list of distances of QM and MM waters with respect to the point. If r(O-MM) + swpr < r(O-QM) the switch is performed on the XYZ arrays (not for minimization!!) Every swfq steps the lists are checked and updated rxncor: define pcec sele (qm .and. type O*) end sele (qm .and. type H*) end sccdftb remove chrg 1 sele qm end TEMP 0.00 scft 0.00000001 – swit sele (qm .and. type O*) end sele ((.not. qm) .and. type O* ) end swop 6 swfq 1 swpr 1.5 Update nonbonded lists In our systems we ususally switch a water every 50 steps MD QM/MM Switching waters: implementation in charmm Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 11. Solvated proton Solvated OH - Neutral water A 22 angstr. sphere of TIP3 waters with GSBP 300 K with Langevin 20-22 angst., SHAKE for MM, 1fs timestep QM: 6 angstr. around the target atom 90-150 atoms SCCdftb: hbond (+gaussw); hbond+3 rd order Hubbard 3 rd order Hubbard Compute coefficient of diffusion and RDF Switching waters: modeled systems Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 12. Collecting data between 1-4 ps has the same slope and less statistics 1:dhga 2:hbond, gausw 3: dhga, hbond, gausw Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 13. 3 rd order: 5.5E-4 Å 2 /fs Hbond: 7.2E-4 Å 2 /fs 3 rd +Hbond: 5.3E-4 Å 2 /fs experimental 9.3E-4 Å 2 /fs H + Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 14. 3 rd order: 5.5E-4 Å 2 /fs Hbond: 7.2E-4 Å 2 /fs 3 rd +Hbond: 5.3E-4 Å 2 /fs experimental 9.3E-4 Å 2 /fs 5.8E-4 7.6E-4 5.8E-4 5.3E-4 6.7E-4 4.9E-4 effect of the QM size bigQM smallQM H + Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 15. 3 rd order: 5.5E-4 Å 2 /fs Hbond: 7.2E-4 Å 2 /fs 3 rd +Hbond: 5.3E-4 Å 2 /fs experimental 9.3E-4 Å 2 /fs 6.0E-4 7.4E-4 5.7E-4 5.1E-4 6.1E-4 5.1E-4 effect of the edge of sphere 1 st 2.5ps 2 nd 2.5ps H + Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 16. identification of structural species: What molecule are we talking about? H + graph Hydronium: H3O+ Zundel: H5O2+ Eigen: H9O3+ Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 17. 3 rd order: 2.3E-4 Å 2 /fs Hbond: 2.2E-4 Å 2 /fs 3 rd +Hbond: 2.0E-4 Å 2 /fs experimental 5E-4 Å 2 /fs OH - : Herr doktor Haibo Yu Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 18. 3 rd order: 6.8E-4 Å 2 /fs Hbond: 3.7E-4 Å 2 /fs 3 rd +Hbond: 2.8E-4 Å 2 /fs experimental 2.9E-4 Å 2 /fs H 2 O Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 19. 3 rd order: 6.0E-4 Å 2 /fs Hbond: 3.2E-4 Å 2 /fs 3 rd +Hbond: 2.1E-4 Å 2 /fs experimental 2.9E-4 Å 2 /fs H 2 O 1 st 5ps Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O
- 20. H 2 O: RDF gO-O Bibliography SCCdftb/MM SwitchWaters H 3 O + OH - H 2 O