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In the asignatura Simulation and Optimisation of the Chemical Processes, pretends give to the student the bases of what is nowadays the simulation of chemical processes (modulate sequential and simultaneous, based in equations), the bases of the mathematical programming (optimisation), as well as that the student develop good habits in the modelado and back resolution of problems. It pretends also that the student was able to develop his own mathematical models and know the bases, advantages and limitations of the available algorithms nowadays to resolve said problems (so much regarding simulation of chemical processes as to optimisation).
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The aims of the asignatura are:
1. That the student know the different types of simulators for processes quimicos, his main advantages and inconvenient. The final aim is that the student know in depth the capacities of the commercial simulators, his applications and his limitations. It was capad to develop his own models of simulation and resolve them in the most suitable surroundings.
2. Know the basic foundations of the mathematical programming (optimisation). Problems without restrictions, linear Programming, no linear and whole mixed with continuous and discreet variables.
3. That the student was capad of modelar a problem of optimisation of the most suitable form in particular in the case of problems with binary variables and applied to problems of the field of the chemical engineering.
SUBJECT 1. Introduction
1.1 Introduction.
1.2 historical Development of the simulation of processes. Relation between simulation optimisation and synthesis of processes.
1.3 Types of simulators: Modulate sequential. Modulate simultaneous. Based in equations.
SUBJECT 2. Simulation Modulate Sequential
2.1 Decomposition of diagrams of flow (flowsheeting)
2.2 Methods based in the boolean matrices Location of networks cíclicas maximum. Algorithm of Sargent and Westerberg. Algorithm of Tarjan.
2.3 Selection of the currents of court:
2.3.1 general Case approach like a "setcovering problem" (algorithm of Pho and Lapidus)
2.3.2 minimum Number of currents of court (algorithm of Barkley and Motard)
2.3.3 Group of currents of court no redundante (Algorithm of Upadhye and Grens)
SUBJECT 3. Simultaneous Modular simulation
3.1 Effect of the strategies type cuasi Newton on the convergence of the diagrams of flow.
SUBJECT 4. Simulation Based in Equations
4.1 Introduction. Methods of factorisation of matrices disperse. Methods a priori and local methods.
4.2 local Methods: Criterion of Markowitz.
4.3 Methods a priori:
4.3.1 Triangularización by blocks: to. Base of admissible exit (transversal complete). b. Application of the algorithms of Sargent and Tarjan to matrices disperse. c. Resorting.
4.3.2 Transformation in triangular matrix bordeada.
4.4 Phase numerica. Algorithm RANKI
4.5 Comparison between the different systems of simulation. Advantages and Inconvenient.
SUBJECT 5. Degrees of freedom and variables of design of a diagram of flow
5.1 Theorem of Duhem and rule of the phases
5.2 Degrees of freedom of a team
5.3 Degrees of freedom of a diagram of flow
5.4 Election of the variables of design.
Or.D. 2: OPTIMISATION
SUBJECT 6. Basic concepts
6.1 Introduction. Historical development of the optimisation of processes.
6.2 Functions and concave and convex regions.
6.3 Optimisation without restrictions.
6.4 Optimisation with restrictions of equality and inequality. Conditions of optimalidad of Karush Khun Tucker
6.5 Interpretation of the Multiplicadores of Lagrange.
SUBJECT 7. Linear programming
7.1 Introduction. Approach of the in shape canonical problem and standard form.
7.2 Theorems of the linear programming
7.3 graphic Resolution
7.4 Resolution in shape of table. The method simplex.
7.5 artificial Variables. Method of the Big M and method of the two phases.
SUBJECT 8. Programming no linear
8.1 I Review of numerical methods of optimisation without restrictions
8.2 Optimisation with restrictions. Foundation of the methods of successive quadratic programming and of gradient reduced.
SUBJECT 9. Introduction to the linear programming and no linear with discreet variables.
9.1 basic Concepts for the resolution of linear problems with discreet variables.(MILP, mixed integer linear programming)
9.2 Introduction to the no linear programming with continuous and discreet variables (MINLP mixed integer non linear programming)
9.3 Modelado of problems with binary variables:
9.3.1 basic Concepts of algebra of Boole
9.3.2 Transformation of logical expressions to algebraic expressions
9.3.3 Modelado with discreet and continuous variables. Formulation of envolvente convex and of the big M.
Materials
Summary:  You aim in format html that include the following subjects of the part of simulation in the asignatura «simulation and optimisation of chemical processes» SUBJECT 1. Introduction 1.1 Introduction. 1.2 historical Development of the simulation of processes. Relation between simulation optimisation and synthesis of processes. 1.3 Types of simulators: Modulate sequential. Modulate simultaneous. Based in equations. SUBJECT 2. Simulation Modulate Sequential 2.1 Decomposition of diagrams of flow (flowsheeting) 2.2 Methods based in the boolean matrices Location of networks cíclicas maximum. Algorithm of Sargent and Westerberg. Algorithm of Tarjan. 2.3 Selection of the currents of court: 2.3.1 general Case approach like a "setcovering problem" (algorithm of Pho and Lapidus) 2.3.2 minimum Number of currents of court (algorithm of Barkley and Motard) 2.3.3 Group of currents of court no redundante (Algorithm of Upadhye and Grens) SUBJECT 3. Simultaneous Modular simulation 3.1 Effect of the strategies type cuasi Newton on the convergence of the diagrams of flow. SUBJECT 4. Simulation Based in Equations 4.1 Introduction. Methods of factorisation of matrices disperse. Methods a priori and local methods. 4.2 local Methods: Criterion of Markowitz. 4.3 Methods a priori: 4.3.1 Triangularización by blocks: to. Base of admissible exit (transversal complete). b. Application of the algorithms of Sargent and Tarjan to matrices disperse. c. Resorting. 4.3.2 Transformation in triangular matrix bordeada. 4.4 Phase numerica. Algorithm RANKI 4.5 Comparison between the different systems of simulation. Advantages and Inconvenient. SUBJECT 5. Degrees of freedom and variables of design of a diagram of flow 5.1 Theorem of Duhem and rule of the phases 5.2 Degrees of freedom of a team 5.3 Degrees of freedom of a diagram of flow 5.4 Election of the variables of design. 
URI:  http://hdl.handle.net/10045/19733 
Language:  spa 
Type:  learningObject 
Rights:  Licence Creative Commons RecognitionNoComercialSinObraDerivada 3.0 
It appears in the collections:  Teaching  Engineering and Architecture  Manual / Subjects GITE  DIQUI  Manual / Subjects 
Archives in this ítem:

Summary:  Presentations in power point of the corresponding subjects to the asignatura «Simulation and Optimisation of chemical processes». 
URI:  http://hdl.handle.net/10045/19735 
Language:  spa 
Type:  info:eurepo/semantics/lecture 
Rights:  Licence Creative Commons RecognitionNoComercialSinObraDerivada 3.0 
It appears in the collections:  Teaching  Engineering and Architecture  Manual / Subjects GITE  DIQUI  Manual / Subjects 
Archive  Description  Size  Format  

Presentacion_Simulacion_01.pps  Simulation splits I. Introduction and modular Simulation  1.22 MB  Microsoft Powerpoint  Open 
Presentacion_Simulacion_02.pps  Simulation splits II. Simulation based in equations  1.29 MB  Microsoft Powerpoint  Open 
Presentacion_optimizacion_QP_Pen_SQP_GR.pps  Optimisation: quadratic Programming; cuadratica successive and gradient reduced  529 kB  Microsoft Powerpoint  Open 
Presentacion_optimizacion_Simplex_Flexible.pps  Optimisation: Simplex flexible of Nedler and Piss  136.5 kB  Microsoft Powerpoint  Open 
Presentation_optimizacion_MILP_MINLP.pps  Optimisation: MILPMINLP  373.5 kB  Microsoft Powerpoint  Open 
Presentacion_Simulacion_01.Pdf  Simulation splits I. Introduction and modular Simulation [PDF]  356.5 kB  Season PDF  Open  previous Sight 
Presentacion_Simulacion_02.Pdf  Simulation splits II. Simulation based in equations [PDF]  447.52 kB  Season PDF  Open  previous Sight 
Presentacion_optimizacion_QP_Pen_SQP_GR.Pdf  Optimisation: quadratic Programming; cuadratica successive and gradient reduced [PDF]  329.45 kB  Season PDF  Open  previous Sight 
Presentacion_optimizacion_Simplex_Flexible.Pdf  Optimisation: Simplex flexible of Nedler and Piss [PDF]  112.33 kB  Season PDF  Open  previous Sight 
Presentation_optimizacion_MILP_MINLP.Pdf  Optimisation: MILPMINLP [PDF]  246.88 kB  Season PDF  Open  previous Sight 
You aim of the asignatura (virtual campus or Open Course Wear).
On the first part of the asignatura does not exist a book that contain all the material that covers in the asignatura. Books that cover parts of this are:
Modelado Simulation and Optimisation of Chemical Processes.
Authors: Pío Antonio Aguirre; Sonia Judith Benz; Omar Juan Chiotti; H. José Espinosa; Marta Beatriz Ferrero; Jorge Marcelo Montagna; Miguel C. Mussati; Gustavo Alberto Pérez; Jorge Rodríguez; Héctor Enrique Salomone; Alejandro S. M. Santa Cruz; Enrique Eduardo Price; Jorge Vega
Process analysis and simulation
Author(is): HIMMELBLAU, David Mautner; BISCHOFF, Kenneth B.
Edition: New York : John Willey , 1968.
Process flowsheeting
Author(is): To.W. Westerberg, H.P. Hutchinson, R.L. Motard
Edition: Cambridge [etc.] : Cambridge University Press, 1979.
ISBN: 0521220432
Computational technologies For systems of equations, linear and whole optimisation
Author(is): SOURCE Or`CONNOR, José Luis
Edition: Barcelona [etc] : Reverté, 1993.
ISBN: 8429126058
Chemical process structures and information flows
Author(is): Richard S.H. Mah
Edition: Boston [Mass.] [Etc.] : Butterworths, cop. 1990.
ISBN: 040990175X / 0750692308
Analysis, synthesis, and design of chemical processes
Author(is): TURTON, Richard [et. To the.]
Edition: Upper Saddle River (N.J.) : Prentice Hall, 2003.
ISBN: 0130647926 (cart.)
Of the part of optimisation, however exists a very wide variety of books, some of interest are:
Linear and non linear programming
Author(is): NASH, Stephen G.; SOFER, Ariela
Edition: New York : McGraw Hill Companies, 1996.
ISBN: 0070460655
Nonlinear programming: theory and algorithms
Author(is): Mokhtar S. Bazaraa, Hanif D. Sherali And C. M. Shetty
Edition: New York : Wiley, 2006.
ISBN: 0471486000
Optimization of chemical processes
Author(is): EDGARD, Thomas F.; HIMMELBLAU, David M.; LASDON, Leon S.
Edition: Boston : McGrawHill, 2001.
ISBN: 0070393591
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