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SAJJAD KHUDHUR ABBAS
Ceo , Founder & Head of SHacademy
Chemical Engineering , Al-Muthanna University, Iraq
Oil & Gas Safety and Health Professional – OSHACADEMY
Trainer of Trainers (TOT) - Canadian Center of Human
Development
Episode 51 : Integrated
Process Simulation
Integration: Introduction
Why Integration ?
* Consider aspects of control,
environmental impact, energy, etc., early
during process design
* Prevent potential problems rather than
cure (which may not be possible)
Definition of Integration
Integration
Off-line
Tools
On-line
Process
Simultaneously solve more than one problem, or,
simultaneously perform more than one operation !
Process Integration is about Operation/Control !
Difference Between Process & Tools Integration
Tools Integration
* Combines tools/algorithms in order to
determine optimal conditions of operation
& design subject to constraints
Process Integration
Links more than one operation and/or
equipment together in order to achieve an
integrated condition of operation & design
Difference Between Process & Tools Integration
Example: Heat Integration
Tools Integration- Determine the
heating/cooling demands and the
optimal distribution
Process Integration - Supply the
individual heating/cooling demands
based on optimal network (connection)
Tools Integration: Example
Integrated synthesis, design and control: Separation
of an azeotropic mixture
Solve the following steps in an integrated manner
* Mixture analysis
* Use solvents or external agents ?
*Analyze phase boundaries and distillation
boundaries
* Configure/design the separation sequence
* Validate separation by simulation
* Design & verify process operation/control
Tools Integration: Example
Optimal design and control of a process: Determine
energy efficient and “clean” condition of operation
Solve the following steps in an integrated manner
* Process (flowsheet) analysis (control,
environmental impact, energy used)
* Solvents or external agents used?
* Define feasibility (control, energy,
environment) regions
*Reconfigure/design the process flowsheet
*Validate process operation by simulation
(open-loop and closed-loop)
Tools Integration : Requirements
No recycle of information flow - Integration possible ?
problem 1 problem 2
Recycle of information flow - Integration possible ?
problem 1 problem 2
Direction of Information flow
Tools Integration: General Framework
Outline
* Basis for integration
* Integration of synthesis, design & operation
* Tools needed (models, properties, algorithms
(synthesis, design, ..), simulation engine, etc.)
* Integration approach
* Aspects of models-properties
Tools Integration: Basis for Integration
* What are common (information) between
various problems (tools) to be integrated ?
* Can the same tools supply the common
information ?
* How can various tools share the common
information ?
Tools Integration: Basis for Integration
design control
synthesis
To consider aspects of synthesis, design and control
simultaneously, it is necessary to determine what is
“common” information to the three problems.
Intensive variables such as T, P, x are “common”
but have different “functions”
Tools Integration: Basis for Integration
To consider aspects of synthesis, design and
control simultaneously, it is necessary to
determine what is “common” information to
the three problems.
Intensive variables such as T, P, x are
“common” but have different “functions”
Stream Summary
from
Simulation Engine
design control
synthesis
Functions of Intensive Variables T, P, x
Synthesis: Determine effects of T, P, x on the process
model (properties) to generate the process
flowsheet/configuration
Design: Determine T, P, x such that the process
satisfies the specified objectives
Control: Determine the sensitivities of T, P, x in
order to design the control system
Energy: Determine H(T, P, x) to compute the energy
requirements
Environmental Impact: Identify environmental
problems through x
Economy: Cost of operation, equipment are
functions of T, P, x
INTEGRATION OF TOOLS/METHODS
Intensive variables
T, P, x
Extensive variables
& properties
Process Models
(constraints)
Problems
(synthesis, design, control, analysis)
Tools Integration: Tools Needed
* Models (Properties, process, …)
* Algorithms (synthesis, design, control, …)
* Simulation engine
* Storage of knowledge (information)
* Numerical methods (solvers)
* Process analysis
Hierarchical Approach: Example
Separation
system
Level mReactor
Level n
Reactor
Level pFlash Distillation
Reactor
At every level perform integrated design & control analysis !
Extractive separation of azeotropic mixtures:
Separation of acetone-chloroform
Problem Definition: Determine Optimal Flowshet
* Define Optimal (energy, environment, operation)
* VLE-phase diagram & azeotrope verification
* Selection of extractive agent
* Configuration of extractive distillation system
* Evaluation of alternatives (by simulation)
* Determine optimal flowsheet
Level 1
Levels
2 …N
A Hierarchical Approach: Problem Decomposition
Level 1
Level 2
Level 3
Level N
Each level solves an integrated problem. Complexity of problem increases with
Computer Aided Process Engineering - Lecture 5 (R. Gani) 19
SIMULATION ENGINE
MANAGER
AE / ODE / DAE
PDE
LP / NLP
MILP / MINLP
Solver Library
Rigorous
Linear
Regression
Model Analysis
Flowsheet
Components / Reactions
Measure units
Constitutive models
What to solve
Method of solution
Set/initialize variables
Output (detail/form)
PROBLEM DEFINITIONADD TO THE SYSTEM TOOLBOX
DATABANKS
LIBRARIES
Models
(Model development)
Components
(Property prediction)
Reactions
Process synthesis/equipment design/control
Utilities (model selection, properties)
INFORMATION
STORRAGE
Agents (solvent design/selection)
Analysis & assessment
Model Equations
Model equations
Model equations
Constitutive relations
Model Adaptation
Rigorous
Linear
Regression
RHS
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Integrated process simulation episode

  • 1. SAJJAD KHUDHUR ABBAS Ceo , Founder & Head of SHacademy Chemical Engineering , Al-Muthanna University, Iraq Oil & Gas Safety and Health Professional – OSHACADEMY Trainer of Trainers (TOT) - Canadian Center of Human Development Episode 51 : Integrated Process Simulation
  • 2. Integration: Introduction Why Integration ? * Consider aspects of control, environmental impact, energy, etc., early during process design * Prevent potential problems rather than cure (which may not be possible)
  • 3. Definition of Integration Integration Off-line Tools On-line Process Simultaneously solve more than one problem, or, simultaneously perform more than one operation ! Process Integration is about Operation/Control !
  • 4. Difference Between Process & Tools Integration Tools Integration * Combines tools/algorithms in order to determine optimal conditions of operation & design subject to constraints Process Integration Links more than one operation and/or equipment together in order to achieve an integrated condition of operation & design
  • 5. Difference Between Process & Tools Integration Example: Heat Integration Tools Integration- Determine the heating/cooling demands and the optimal distribution Process Integration - Supply the individual heating/cooling demands based on optimal network (connection)
  • 6. Tools Integration: Example Integrated synthesis, design and control: Separation of an azeotropic mixture Solve the following steps in an integrated manner * Mixture analysis * Use solvents or external agents ? *Analyze phase boundaries and distillation boundaries * Configure/design the separation sequence * Validate separation by simulation * Design & verify process operation/control
  • 7. Tools Integration: Example Optimal design and control of a process: Determine energy efficient and “clean” condition of operation Solve the following steps in an integrated manner * Process (flowsheet) analysis (control, environmental impact, energy used) * Solvents or external agents used? * Define feasibility (control, energy, environment) regions *Reconfigure/design the process flowsheet *Validate process operation by simulation (open-loop and closed-loop)
  • 8. Tools Integration : Requirements No recycle of information flow - Integration possible ? problem 1 problem 2 Recycle of information flow - Integration possible ? problem 1 problem 2 Direction of Information flow
  • 9. Tools Integration: General Framework Outline * Basis for integration * Integration of synthesis, design & operation * Tools needed (models, properties, algorithms (synthesis, design, ..), simulation engine, etc.) * Integration approach * Aspects of models-properties
  • 10. Tools Integration: Basis for Integration * What are common (information) between various problems (tools) to be integrated ? * Can the same tools supply the common information ? * How can various tools share the common information ?
  • 11. Tools Integration: Basis for Integration design control synthesis To consider aspects of synthesis, design and control simultaneously, it is necessary to determine what is “common” information to the three problems. Intensive variables such as T, P, x are “common” but have different “functions”
  • 12. Tools Integration: Basis for Integration To consider aspects of synthesis, design and control simultaneously, it is necessary to determine what is “common” information to the three problems. Intensive variables such as T, P, x are “common” but have different “functions” Stream Summary from Simulation Engine design control synthesis
  • 13. Functions of Intensive Variables T, P, x Synthesis: Determine effects of T, P, x on the process model (properties) to generate the process flowsheet/configuration Design: Determine T, P, x such that the process satisfies the specified objectives Control: Determine the sensitivities of T, P, x in order to design the control system Energy: Determine H(T, P, x) to compute the energy requirements Environmental Impact: Identify environmental problems through x Economy: Cost of operation, equipment are functions of T, P, x
  • 14. INTEGRATION OF TOOLS/METHODS Intensive variables T, P, x Extensive variables & properties Process Models (constraints) Problems (synthesis, design, control, analysis)
  • 15. Tools Integration: Tools Needed * Models (Properties, process, …) * Algorithms (synthesis, design, control, …) * Simulation engine * Storage of knowledge (information) * Numerical methods (solvers) * Process analysis
  • 16. Hierarchical Approach: Example Separation system Level mReactor Level n Reactor Level pFlash Distillation Reactor At every level perform integrated design & control analysis !
  • 17. Extractive separation of azeotropic mixtures: Separation of acetone-chloroform Problem Definition: Determine Optimal Flowshet * Define Optimal (energy, environment, operation) * VLE-phase diagram & azeotrope verification * Selection of extractive agent * Configuration of extractive distillation system * Evaluation of alternatives (by simulation) * Determine optimal flowsheet Level 1 Levels 2 …N
  • 18. A Hierarchical Approach: Problem Decomposition Level 1 Level 2 Level 3 Level N Each level solves an integrated problem. Complexity of problem increases with
  • 19. Computer Aided Process Engineering - Lecture 5 (R. Gani) 19 SIMULATION ENGINE MANAGER AE / ODE / DAE PDE LP / NLP MILP / MINLP Solver Library Rigorous Linear Regression Model Analysis Flowsheet Components / Reactions Measure units Constitutive models What to solve Method of solution Set/initialize variables Output (detail/form) PROBLEM DEFINITIONADD TO THE SYSTEM TOOLBOX DATABANKS LIBRARIES Models (Model development) Components (Property prediction) Reactions Process synthesis/equipment design/control Utilities (model selection, properties) INFORMATION STORRAGE Agents (solvent design/selection) Analysis & assessment Model Equations Model equations Model equations Constitutive relations Model Adaptation Rigorous Linear Regression RHS
  • 20. Thanks for Watching Please follow me / SAJJAD KHUDHUR ABBAS