This document describes the development of process simulation software for the polymer industry using object-oriented design and CAPE-OPEN standards. It discusses refactoring an existing Fortran code for simulating methyl methacrylate polymerization into logical objects and developing a wrapper to allow integration with other equipment models according to CAPE-OPEN. The conclusions highlight benefits like reduced code redundancy and improved maintenance, while suggestions focus on optimizing numerical computations for speed without sacrificing flexibility.
Semantic Web Technologies for Intelligent Engineering ApplicationsMarta Sabou
Presentation at the closing event of the Christian Doppler Laboratory „Software Engineering Integration for Flexible Automation Systems“ (CDL-Flex) (http://cdl.ifs.tuwien.ac.at/).
Invited talk at SSSW'16 (http://sssw.org/2016/?page_id=232) introducing the Fourth Industrial Revolution and discussing how Semantic Web technologies can support this movement. Also a teaser for the upcoming Springer book "Semantic Web for Intelligent Engineering Applications" (http://www.springer.com/us/book/9783319414881).
Linked Data for Automation Systems EngineeringMarta Sabou
A talk about using Linked Data technologies to support the multi-disciplinary engineering processes typical for automation systems, cyber-physical systems and Industrie4.0 in general. Talk given at workshop for "Linked Data in Industry 4.0" at Semantics 2015 (http://www.semantics.cc/satellite-events/linked-data-industry-40).
Model-Based Risk Assessment in Multi-Disciplinary Systems EngineeringEmanuel Mätzler
Presentation at the Euromicro Conference series on Software Engineering and Advanced Applications (SEAA), 2015, on Model-Based Risk Assessment in Multi-Disciplinary Systems Engineering. For further information see: www.sysml4industry.org
Regression test selection model: a comparison between ReTSE and pythiaTELKOMNIKA JOURNAL
As software systems change and evolve over time regression tests have to be run to validate these changes. Regression testing is an expensive but essential activity in software maintenance. The purpose of this paper is to compare a new regression test selection model called ReTSE with Pythia. The ReTSE model uses decomposition slicing in order to identify the relevant regression tests. Decomposition slicing provides a technique that is capable of identifying the unchanged parts of a system. Pythia is a regression test selection technique based on textual differencing. Both techniques are compare using a Power program taken from Vokolos and Frankl’s paper. The analysis of this comparison has shown promising results in reducing the number of tests to be run after changes are introduced.
Model-Based Co-Evolution of Production Systems and their Libraries with Auto...Luca Berardinelli
System models are essential in planning, designing, realizing, and maintaining production systems. AutomationML (AML) is an emerging standard to represent and exchange heterogeneous artifacts throughout the complete system life cycle and is more and more used as a modeling language. AML is designed as a flexible, prototype-based language able to represent the full spectrum of different artifacts. It may be utilized to build reusable libraries containing prototypical elements to build up production systems by using clones. However, libraries have to evolve over time, e.g., to reflect bug fixes, new features or refactorings, and so system models have to co-evolve to reflect
the changes in the libraries.
To tackle this co-evolution challenge, we specify in this paper the relationship between library elements, i.e., prototypes, and system elements, i.e., clones, by establishing a formal model for prototype-based modeling languages. Based on this formalization,we introduce several levels of consistency rigor one may want to achieve when modeling with prototype-based languages. These levels are also the main input to reason about the impact of library changes on the concrete system models for which we provide semi-automated co-evolution propagation strategies. We apply the established theory to the concrete AML case and present concrete tool support for evolving AML models based on Eclipse which demonstrates that consistency between system models and libraries may be maintained semi-automatically.
Semantic Web Technologies for Intelligent Engineering ApplicationsMarta Sabou
Presentation at the closing event of the Christian Doppler Laboratory „Software Engineering Integration for Flexible Automation Systems“ (CDL-Flex) (http://cdl.ifs.tuwien.ac.at/).
Invited talk at SSSW'16 (http://sssw.org/2016/?page_id=232) introducing the Fourth Industrial Revolution and discussing how Semantic Web technologies can support this movement. Also a teaser for the upcoming Springer book "Semantic Web for Intelligent Engineering Applications" (http://www.springer.com/us/book/9783319414881).
Linked Data for Automation Systems EngineeringMarta Sabou
A talk about using Linked Data technologies to support the multi-disciplinary engineering processes typical for automation systems, cyber-physical systems and Industrie4.0 in general. Talk given at workshop for "Linked Data in Industry 4.0" at Semantics 2015 (http://www.semantics.cc/satellite-events/linked-data-industry-40).
Model-Based Risk Assessment in Multi-Disciplinary Systems EngineeringEmanuel Mätzler
Presentation at the Euromicro Conference series on Software Engineering and Advanced Applications (SEAA), 2015, on Model-Based Risk Assessment in Multi-Disciplinary Systems Engineering. For further information see: www.sysml4industry.org
Regression test selection model: a comparison between ReTSE and pythiaTELKOMNIKA JOURNAL
As software systems change and evolve over time regression tests have to be run to validate these changes. Regression testing is an expensive but essential activity in software maintenance. The purpose of this paper is to compare a new regression test selection model called ReTSE with Pythia. The ReTSE model uses decomposition slicing in order to identify the relevant regression tests. Decomposition slicing provides a technique that is capable of identifying the unchanged parts of a system. Pythia is a regression test selection technique based on textual differencing. Both techniques are compare using a Power program taken from Vokolos and Frankl’s paper. The analysis of this comparison has shown promising results in reducing the number of tests to be run after changes are introduced.
Model-Based Co-Evolution of Production Systems and their Libraries with Auto...Luca Berardinelli
System models are essential in planning, designing, realizing, and maintaining production systems. AutomationML (AML) is an emerging standard to represent and exchange heterogeneous artifacts throughout the complete system life cycle and is more and more used as a modeling language. AML is designed as a flexible, prototype-based language able to represent the full spectrum of different artifacts. It may be utilized to build reusable libraries containing prototypical elements to build up production systems by using clones. However, libraries have to evolve over time, e.g., to reflect bug fixes, new features or refactorings, and so system models have to co-evolve to reflect
the changes in the libraries.
To tackle this co-evolution challenge, we specify in this paper the relationship between library elements, i.e., prototypes, and system elements, i.e., clones, by establishing a formal model for prototype-based modeling languages. Based on this formalization,we introduce several levels of consistency rigor one may want to achieve when modeling with prototype-based languages. These levels are also the main input to reason about the impact of library changes on the concrete system models for which we provide semi-automated co-evolution propagation strategies. We apply the established theory to the concrete AML case and present concrete tool support for evolving AML models based on Eclipse which demonstrates that consistency between system models and libraries may be maintained semi-automatically.
HSO: A Hybrid Swarm Optimization Algorithm for Reducing Energy Consumption in...TELKOMNIKA JOURNAL
Mobile Cloud Computing (MCC) is an emerging technology for the improvement of mobile service quality. MCC resources are dynamically allocated to the users who pay for the resources based on their needs. The drawback of this process is that it is prone to failure and demands a high energy input. Resource providers mainly focus on resource performance and utilization with more consideration on the constraints of service level agreement (SLA). Resource performance can be achieved through virtualization techniques which facilitates the sharing of resource providers’ information between different virtual machines. To address these issues, this study sets forth a novel algorithm (HSO) that optimized energy efficiency resource management in the cloud; the process of the proposed method involves the use of the developed cost and runtime-effective model to create a minimum energy configuration of the cloud compute nodes while guaranteeing the maintenance of all minimum performances. The cost functions will cover energy, performance and reliability concerns. With the proposed model, the performance of the Hybrid swarm algorithm was significantly increased, as observed by optimizing the number of tasks through simulation, (power consumption was reduced by 42%). The simulation studies also showed a reduction in the number of required calculations by about 20% by the inclusion of the presented algorithms compared to the traditional static approach. There was also a decrease in the node loss which allowed the optimization algorithm to achieve a minimal overhead on cloud compute resources while still saving energy significantly. Conclusively, an energy-aware optimization model which describes the required system constraints was presented in this study, and a further proposal for techniques to determine the best overall solution was also made.
This is a little presentation I gave to Roald Hoffmann's group at Cornell. What are the industrial applications of computational chemistry? How to people work differently in academia vs. industry? What are the sorts of things students should think about if they plan to work in the corporate world?
Grid Connected Electricity Storage Systems (2/2)Leonardo ENERGY
Development and use of Renewable Energy Sources is one of the key elements in European Electricity Research. However, connecting energy sources such as photovoltaics and wind turbines to the electricity grid causes significant effects on these networks. Bottlenecks are stability, security, peaks in supply & demand and overall management of the grid. Energy storage systems provide means to overcome technical and economic hurdles for large-scale introduction of distributed sustainable energy sources. The GROW-DERS project (Grid Reliability and Operability with Distributed Generation using Flexible Storage) investigates the implementation of (transportable) distributed storage systems in the networks. The project is funded by the European Commission (FP6) and the consortium partners are KEMA, Liander, Iberdrola, MVV, EAC, SAFT, EXENDIS, CEA-INES and IPE.
In this project 3 storage systems (2 Li-ion battery systems and a flywheel) have been demonstrated at different test locations in Europe. Additionally, a dedicated software tool, PLATOS (PLAnning Tool for Optimizing Storage), has been developed by KEMA to optimize the energy management of electricity networks using storage. For each network, the location, size and type of storage systems is evaluated for all possible configurations and the most attractive option is selected.
Upfront Thinking to Design a Better Lab Scale DoEplaced1
Presentation Given at AIChE 2009 and the Dynochem User meeting. Discussion on using mechanistic modeling to support DoE investigations and QbD initiatives for single reaction steps.
Determining the Pareto front of distributed generator and static VAR compens...IJECEIAES
The integration of distributed generators (DGs), which are based on renewable energy sources, energy storage systems, and static VAR compensators (SVCs), requires considering more challenging operational cases due to the variability of DG production contributed by different characteristics for different time sequences. The size, quantity, technology, and location of DG units have major effects on the system to benefit from the integration. All these aspects create a multi-objective scope; therefore, it is considered a multi-objective mixed-integer optimization problem. This paper presents an improved multi-objective salp swarm optimization algorithm (MOSSA) to obtain multiple Pareto efficient solutions for the optimal number, location, and capacity of DGs and the controlling strategy of SVC a radial distribution system. MOSSA is a bio-inspired optimizer based on swarm intelligence techniques and it is used in finding the optimal solution for a global optimization problem. Two sets of objective functions have been formulated minimizing DGs and SVC cost, voltage violation, energy losses, and system emission cost. The usefulness of the proposed MOSSA has been tested with the 33-bus and 141-bus radial distribution systems and the qualitative comparisons against two well-known algorithms, multiple objective evolutionary algorithms based on decomposition (MOEA/D), and multiple objective particle swarm optimization (MOPSO) algorithm.
HSO: A Hybrid Swarm Optimization Algorithm for Reducing Energy Consumption in...TELKOMNIKA JOURNAL
Mobile Cloud Computing (MCC) is an emerging technology for the improvement of mobile service quality. MCC resources are dynamically allocated to the users who pay for the resources based on their needs. The drawback of this process is that it is prone to failure and demands a high energy input. Resource providers mainly focus on resource performance and utilization with more consideration on the constraints of service level agreement (SLA). Resource performance can be achieved through virtualization techniques which facilitates the sharing of resource providers’ information between different virtual machines. To address these issues, this study sets forth a novel algorithm (HSO) that optimized energy efficiency resource management in the cloud; the process of the proposed method involves the use of the developed cost and runtime-effective model to create a minimum energy configuration of the cloud compute nodes while guaranteeing the maintenance of all minimum performances. The cost functions will cover energy, performance and reliability concerns. With the proposed model, the performance of the Hybrid swarm algorithm was significantly increased, as observed by optimizing the number of tasks through simulation, (power consumption was reduced by 42%). The simulation studies also showed a reduction in the number of required calculations by about 20% by the inclusion of the presented algorithms compared to the traditional static approach. There was also a decrease in the node loss which allowed the optimization algorithm to achieve a minimal overhead on cloud compute resources while still saving energy significantly. Conclusively, an energy-aware optimization model which describes the required system constraints was presented in this study, and a further proposal for techniques to determine the best overall solution was also made.
This is a little presentation I gave to Roald Hoffmann's group at Cornell. What are the industrial applications of computational chemistry? How to people work differently in academia vs. industry? What are the sorts of things students should think about if they plan to work in the corporate world?
Grid Connected Electricity Storage Systems (2/2)Leonardo ENERGY
Development and use of Renewable Energy Sources is one of the key elements in European Electricity Research. However, connecting energy sources such as photovoltaics and wind turbines to the electricity grid causes significant effects on these networks. Bottlenecks are stability, security, peaks in supply & demand and overall management of the grid. Energy storage systems provide means to overcome technical and economic hurdles for large-scale introduction of distributed sustainable energy sources. The GROW-DERS project (Grid Reliability and Operability with Distributed Generation using Flexible Storage) investigates the implementation of (transportable) distributed storage systems in the networks. The project is funded by the European Commission (FP6) and the consortium partners are KEMA, Liander, Iberdrola, MVV, EAC, SAFT, EXENDIS, CEA-INES and IPE.
In this project 3 storage systems (2 Li-ion battery systems and a flywheel) have been demonstrated at different test locations in Europe. Additionally, a dedicated software tool, PLATOS (PLAnning Tool for Optimizing Storage), has been developed by KEMA to optimize the energy management of electricity networks using storage. For each network, the location, size and type of storage systems is evaluated for all possible configurations and the most attractive option is selected.
Upfront Thinking to Design a Better Lab Scale DoEplaced1
Presentation Given at AIChE 2009 and the Dynochem User meeting. Discussion on using mechanistic modeling to support DoE investigations and QbD initiatives for single reaction steps.
Determining the Pareto front of distributed generator and static VAR compens...IJECEIAES
The integration of distributed generators (DGs), which are based on renewable energy sources, energy storage systems, and static VAR compensators (SVCs), requires considering more challenging operational cases due to the variability of DG production contributed by different characteristics for different time sequences. The size, quantity, technology, and location of DG units have major effects on the system to benefit from the integration. All these aspects create a multi-objective scope; therefore, it is considered a multi-objective mixed-integer optimization problem. This paper presents an improved multi-objective salp swarm optimization algorithm (MOSSA) to obtain multiple Pareto efficient solutions for the optimal number, location, and capacity of DGs and the controlling strategy of SVC a radial distribution system. MOSSA is a bio-inspired optimizer based on swarm intelligence techniques and it is used in finding the optimal solution for a global optimization problem. Two sets of objective functions have been formulated minimizing DGs and SVC cost, voltage violation, energy losses, and system emission cost. The usefulness of the proposed MOSSA has been tested with the 33-bus and 141-bus radial distribution systems and the qualitative comparisons against two well-known algorithms, multiple objective evolutionary algorithms based on decomposition (MOEA/D), and multiple objective particle swarm optimization (MOPSO) algorithm.
2. The present thesis was conducted under Polymer
Simulation LTD., a spin-off company of the Laboratory of
Polymer Reaction Engineering (LPRE) of Aristotle
University of Thessaloniki.
Development of process simulation software for the
polymer industry.
As part of the general efforts to redesign the existing
source code database.
4. CAD Polymerization Reactor Packages
LPRE software can be used for:
Computer Aided Design
Computer Aided Process Monitoring
Computer Aided Process Control and Optimization
Modeling abilities of the software tools:
Chemical Kinetics (Monte Carlo Simulations)
Polymerization Reactors
Other Unit Operations
5. CAD Polymerization Reactor Packages
The software can be used in a wide range of industrial applications:
Analysis of the effect of key process
variables on productivity and
product quality.
Examination of process alternatives
for economic optimization and to
improve quality.
Conducting of safety analysis for
reactor runaway conditions.
Training of operators to handle
process transitions and equipment
failure.
6. CAD Polymerization Reactor Packages
As the polymer industry becomes more global, manufacturers are
searching for more reliable software tools that will enable them to
achieve competitive advantage.
Better collaboration between software developers.
Development of web applications for online simulations.
Object-Oriented Design CAPE-OPEN Standards
Design of Software
Packages
7. Object Oriented Design
Object Oriented Design decomposes a complex system into simple
logical objects that are easier to understand, code, and maintain.
The major characteristic of Object Oriented Design is
encapsulation: Grouping variables and computational methods into
logical objects.
The logical objects are defined according to real world objects (e.g.
chemistry, materials, properties).
Simulation of
Polymerization Reactor
Chemical Kinetics
Diffusion Phenomena
Physical & Thermodynamic Properties
Fluid Flow
Energy Balances
Complex System Simpler Systems
8. Object Oriented Design
Example of multi-scale description of a polymerization reactor:
Kinetic Model
Single Particle Model
Population Balance Model
Macroscopic Multiphase Mixing Model
With Object Oriented Design the various phenomena occurring in
micro-, meso- and macro- scales are encapsulated into different
logical units which are connected through well defined interfaces.
9. Object Oriented Design
Chemistry Modeling Tool
Specification of kinetic
parameters or retrieval from a
database
Computation of kinetic rate
constants
Computation of reaction rates
(p, T)
Computation of heat of reaction
Equipment Models
Reactor
Heat Exchanger
Distillation Columns, etc.
A general Equipment Model
10. CAPE-OPEN Standards
The standards of CAPE-OPEN define rules and interfaces
that allow chemical process simulators to interoperate.
The standards are provided by the CAPE-OPEN Laboratories
Network (CO-LaN).
Open source codes implementing globally accepted
interfaces that are completely transparent allowing the user to
tailor the code to his needs.
Flow sheet
Equipment Models
(e.g.: Reactor,
Distillation, etc.)
11. CAPE-OPEN Standards
How does CAPE-OPEN works?
Equipment Model External Equipment Models
Internal Layer
(Fortran)
Wrapper
(C#)
A wrapper is an interface
that connects the internal
layer of an equipment model
(EM) with other EM’s.
Equipment
Model
1
Equipment
Model
2
W
r
a
p
p
e
r
12. Application in MMA Polymerization
Refactor a Fortran source code for the simulation of methyl
methacrylate (MMA) polymerization reactor in order to meet
CAPE-OPEN Standards.
Description of the chemical process:
Type of reactor: Batch stirred tank reactor
Polymerization technique: Suspension polymerization
Thermal decomposition of initiator
Type of control system: Cascade control system (temperature
control)
13. Application in MMA Polymerization
Stages of the diploma thesis:
Analyze the code into logical objects (classes).
Numerical solutions of the mathematical model using Runge-
Kutta 4th and multistep finite differences (Adams-Moulton).
Development of a wrapper in order to be able to connect to
external equipment models.
14. Application in MMA Polymerization
Equipment Model Algorithm Flowchart
The wrapper is used to pass input
data to the equipment model (EM).
Using the input data the EM calls the
numerical library in order to solve the
mathematical models.
Results are passed back to the
wrapper.
If the wrapper is connected with
another EM then the results will be
used as input data to that EM.
Main Program
User Input
Numerical
Method
Energy
Ballance
Mass Ballance
Polymer
Properties
Results
Reactans
Product
By-products
Wrapper
Reactor
External EM
Control
System
t = tinitial,...,tfinal
External
EM
15. Conclusions
Minimization of code redundancies. Large software
projects become smaller in size.
Better code maintenance (fixing bugs, extensions).
Pure object oriented codes are computationally
slower.
Integration with any software that is created using
the CAPE-OPEN Standards.
16. Suggestions
The CPU-intensive numerical computations must be
implemented using:
Highly tuned FORTRAN or C codes.
Parallelization techniques.
C++ with template metaprogramming.
However, the top level interfaces of the code can still be
constructed to provide the typical flexibility of Object
Oriented Design.
Benefits:
Optimal compromise between the flexibility of object oriented
paradigm and the speed of the procedural paradigm.