LEARNING OUTCOMES

Course objective is multiscale analysis and computer simulations of chemical processes.

AIMS AND LEARNING OUTCOMES

The attendance and active participation in the proposed training activities (frontal lessons, numerical exercises, visits to industrial realities, seminars), individual study and group discussion will allow the student:

to identify the theoretical equations present in the most used simulation programs in the field of chemical and process engineering

to distinguish the different scales of detail and the appropriate study approach in each case 

to use the proposed simulation programs

to analyze real problems proposed by characteristic companies in chemical and process engineering 

to critically discuss the various available solutions to the proposed problems.

 Adequate communication skills will be encouraged through group exercises and interaction with the various collaborating industrial realities.

PREREQUISITES

For a successful learning, basic knowledge of chemical engineering principles and chemical plants is required, but no formal prerequisites are required.

TEACHING METHODS

The module provides frontal lessons in the classroom (10 hours) and exercises in the computer room (40 hours). The theoretical lessons are intended to provide the theoretical principles of different computer software. Lectures in the classroom alternate with interventions by engineers from the involved industrial realities or external research staff with specific examples of process engineering applications and visits to industrial plants (subjected to the sanitary situation). The module also includes seminars on specific supplementary topics.

The transversal skills in terms of applied knowledge and understanding will be acquired through the resolution of real problems provided by the companies involved, to be carried out in groups, and the use of suitable simulation tools. Adequate communication skills will be encouraged through exercises between groups and interaction with the different industrial realities.

SYLLABUS/CONTENT

The program of the module includes the presentation and discussion of the following topics: 

1. Definition of the concept of multiscale and importance in the industrial context (2 hours)
2. Microscopic scale (8 hours)
   1. Theoretical fundamentals
   2. Use of VMD/Toolbox Matlab
3. Mesoscopic scale (20 hours)
   1. Theoretical fundamentals
   2. Use of Ansys Fluent
   3. Visit and application in real case
4. Macroscopic scale (20 hours)
   1. Theoretical fundamentals
   2. Use of Aspen Plus
   3. Visit and application in real case

Applications: Variations according to the involved industrial realities and COVID emergency 

RECOMMENDED READING/BIBLIOGRAPHY

The teaching material used during the lessons will be available in Aulaweb. The notes taken during the lessons and the material in Aulaweb are sufficient for the preparation of the exam, but the following books are suggested as supporting texts.

- H. J. C Berendsen. ‘Simulating the Physical World’. Cambridge University Press 2007.

- I. D. Gil Chaves, J. R. Guevara Lopez, J. L. Garcia Zapata, A. Leguizamon Robayo, G. Rodriguez Nino. ‘Process Analysis and Simulation in Chemical Engineering’. Springer 2016.