Simulation and Optimisation

The subject "Simulation and Optimization", of 4.5 ECTS, is framed as a compulsory subject within the 4th Course of the Degree in Chemical Engineering, in order to provide students with the fundamentals and practical skills of mathematical modelling, simulation and optimization of chemical processes. Including in the modeling and simulation both each process unit and the process as a whole, and the optimization of process units or sections.

As for its relationship with the rest of the subjects of the Degree, since the mathematical modelling of processes covers any unit or process of a chemical plant, there is a bidirectional interrelation between the subject "Simulation and Optimization" and any other specific subject in the field of Chemical Engineering included in the Degree. So that the subject allows to translate into a mathematical model any system of that field, simulate its behavior by solving the mathematical model developed, and reach the optimal state of said system. At the same time, the mathematical model developed and its optimization facilitates the application of the knowledge acquired in the rest of the subjects in the field of Chemical Engineering to the simulation, optimization and control of processes. Being, therefore, a practical extension of these.
The objectives of this subject are structured in three clearly differentiated blocks:
1. Mathematical modelling of chemical equipment and processes.
2. Simulation of chemical processes.
3. Optimization of chemical process equipment.
Within these general objectives, more specific ones are defined, namely:
Objective 1
- Mathematical modelling of steady-state process units.
- Mathematical modelling of steady-state chemical processes.
Objective 2
- Mathematical models of steady-state chemical processes: Analysis and resolution strategies.

- Application of a steady-state chemical process simulator.
Objective 3
- Formulation of optimization problems.
- Linear and non-linear optimization algorithms.
- Optimization of industrial process units and sections.

The contents that are developed are those contemplated succinctly in the descriptor of the subject in the curriculum of the Degree in Chemical Engineering, which indicates:
Introduction to process analysis and simulation. Steady-state process simulation. Optimization of industrial processes. Practices: Simulation of equipment and processes in steady state. Optimization of equipment and processes.
BLOCK I.- Modelling and simulation of systems
Topic 1.- Introduction to process analysis and simulation.
Topic 2.- Process modelling: Structure and mathematical formulation.
Topic 3.- Analysis of systems of equations.
Topic 4.- Modelling of steady-state chemical processes. Applications.
Topic 5.- Degrees of freedom, partitioning, ordering and sectioning.
Topic 6.- Strategies for the resolution of chemical process models. Modular sequential strategy. Simultaneous strategy.
Topic 7.- Convergence algorithms and search for solutions.
BLOCK II.- Optimization of systems
Topic 8.- Optimization problems: Nature and organization.
Topic 9.- General formulation of the optimization problem of a system.
Topic 10.- Optimization algorithms: Basic concepts.
Topic 11.- Optimization algorithms without restrictions. Applications.
Topic 12.- Optimization algorithms with restrictions. Applications.
BLOCK III.- Process simulation and optimization practices
Topic 13.- Simulation of a chemical process.
Topic 14.- Optimization of equipment and chemical processes.

Basic bibliography

HIMMELBLAU, D.M., BISCHOFF, K.B., Análisis y simulación de procesos. Editoral Reverté, 1976. ISBN: 84-291-7235-1 .Signature: 151.3
EDGAR, T.F., HIMMELBLAU, L.S., LASDON, L.S., Optimization of chemical processes. Ed. McGraw Hill, 2001. ISBN: 978-0070393592.

Complementary bibliography
RUDD, D.F., WATSON, Ch.C., Estrategia en ingeniería de procesos. Editorial Alhambra, 1976. ISBN: 84-205-0307-X. Signature: 132.1.
BIEGLER, L.T., GROSSMANN, A.W., WESTERBERG, A.W., Systematic methods of chemical process design. Ed. Prentice Hall, 1997. ISBN: 0-13-492422-3. Signature: 151 16
REKLAITIS, G.V., RAVINDRAN, A., RAGSDELL, K.M., Engineering Optimization, Ed. John Wiley and sons, 1983. ISBN: 0-471-05579-4. Signature: 151.1 6

A Virtual Classroom will be available to provide the appropriate documentation of the subject.

In this subject, the student will acquire or practice a series of basic, general and transversal competences, desirable in any university degree, and specific, typical of the particular degree. Within the table of competences that was designed for the degree, students must achieve the following competences:
BASIC AND GENERAL: CG3, CG4
TRANSVERSAL: CT1, CT4, CT6, CT8, CT13
SPECIFIC: CQ2, CQ4

5.1. Teaching system
This subject will be developed through different teaching and learning mechanisms, as indicated in the following sections:
MD1. Expository classes: Participatory exhibition classes, which introduce and develop the basic concepts and problems related to the modeling, simulation and optimization of systems.
MD2. Interactive seminar classes: Problem seminars, with practical examples of the application of modelling and system optimisation to chemical processes.
MD3. Interactive laboratory classes: Classes in computer classroom (C.C.), aimed at:
1. The application of system simulation, through a chemical process simulator. Simulation of a chemical process using Aspen HYSYS. Optimization and sensitivity analysis.
2. The application of system optimization to the optimal design of chemical process equipment.
MD4. Group tutorials: Problem solving, under the tutelage of the teacher.

5.2. Learning competences
Activity / Competence A=MD1 B=MD2 C=MD3 D=MD4
CG3 A
CG4 B C D
CT1 A B
CT4 C
CT6 B D
CT8 C
CT13 B C
CQ2 A
CQ4 B C D

6.1. Rating system

The subject assessment shall include the following rating systems:

Qualification system Assessment mode Weight in global mark Minimum mark over 10
Exam Individual 50 % 3.5
Lecturer report: Active participation in lectures Individual 5 % -
Activities in seminars / group tutorial Individual 15 %
Practises in computer classroom (C.C.) Individual and by team 30 % -

The grades of all the items, in the course in which the student has completed the face-to-face teaching of the subject, except the final exam, will be kept in all the opportunities of evaluation of said course. It is always necessary that in each new opportunity the student takes the final exam of the subject, which will receive the corresponding grade.

In cases of fraudulent performance of exercises or tests, the provisions of the "Regulations on academic appraisal of two students and review of qualifications" will apply.

6.2. Competences assessment

Asses. Sys. / Competence A=Exam B=Participation in lectures C=Activities in seminars / group tutorial D=Practises in C.C.
CG3 A B C
CG4 B C
CT1 A B C
CT4 D
CT6 C
CT8 D
CT13 C D
CQ2 A B C
CQ4 C D

The subject has a workload of 4.5 ECTS, corresponding to 1 ECTS credit to 25 hours of total work, being the total theoretical number of 112.5 hours. Accordingly, the student's working hours should be distributed as follows:

TEACHING ACTIVITY Face-to-face hours Student self-work ECTS

Lectures 20 23
Seminars 7 10
Computer classroom 10 8
Group tutorial 1 4
Indiv. tutorial 1 2
Subtotal 39 47
Exam 4 22.5
Totales 43 69.5 4.5

Previous knowledge: Students who enroll in the subject must have previously completed the following subjects of the Degree in Chemical Engineering: Fluid Transport, Heat Transfer, Mass Transfer, Chemical Reactors, Process Engineering.

Previous skills: Use of software packages: Aspen HYSYS, MS-Excel, Matlab.

Language in which it is taught: Spanish