Logo

Simulation of Chemical Processes

Code: 106057
Credits: 6
2026/2027
Degree programme Type Course
Chemical Engineering OB 3

Contact lecturer

Name :
David Gabriel Buguña
Email :
david.gabriel@uab.cat

Teaching staff

Àlex Gaona Soler

Teaching staff (external to UAB)

Sergio Juan Calzado

Group languages

You can consult this information at the end of the document.

Prerequisites

It is recommended to have taken the following subjects:

  • Applied thermodynamics
  • Chemical Reactors
  • Heat transfer
  • Fluid transport and circulation
  • Separation operations
  • Chemical kinetics
  • Computer applications

Objectives

  1. Learn how to optimally use commercial process simulation tools.
  2. Acquire the simulation knowledge necessary to pose and solve paradigmatic cases of Chemical Engineering, especially those that need advanced mathematical tools for the resolution of their matter and energy balances, both in steady state and in non-steady state.
  3. Apply simulation tools to predict the behavior of processes.
  4. Acquire the necessary knowledge to carry out parameter sensitivity analyzes through mathematical simulation.
  5. Application of process parameter optimization algorithms.

Learning outcomes

  1. Develop critical thinking and reasoning
  2. Use applicable computer assisted design techniques.
  3. Apply knowledge of separation operations and reactors to the preparation of models and to the simulation of processes.
  4. Apply IT resources to the simulation and control of processes.
  5. Develop a capacity for analysis, synthesis and prospection.
  6. Work autonomously.

Contents


  1. Introduction to the subject

  2. Review of Optimization concepts. Process Simulation Applications

  3. Commercial simulation tools for equipment and process design

  4. Simulation of steady state processes:


4.1. Estimation of properties of pure compounds and mixtures


4.2. Applied thermodynamics


4.3. Heat transmission and exchangers


4.4. Chemical kinetics and ideal reactors


4.5. Transport of compressible and incompressible fluids


4.6. Separation Operations


4.7. Mathematical tools for adjusting flowsheets


5. Dynamic simulation of processes (Systems in a non-steady state)

Learning activities and methodology

Title Hours ECTS Learning outcomes
Hands-on session Block 4.5 4 0.16
Theory classes 17 0.68
Self-Study by students 90 3.6
Hands-on session Block 4.6 4 0.16
Hands-on session Block 4.4 4 0.16
Hands-on session Block 2 4 0.16
Hands-on session Block 4.2 4 0.16
Hands-on session Block 4.3 4 0.16
Hands-on session Block 5 6 0.24
Hands-on session Block 4.1 4 0.16

The subject is structured in three types of sessions:

  • 25 theoretical-practical sessions (100 minutes) held in the IT classrooms where the theoretical content will first be presented and then applied in the practical part of the session, where the students will work in pairs. Some of the built cases may be non-evaluable deliverables
  • 3 practical evaluation sessions (2 h) held in the computer classrooms, in which the students, individually, will solve problems from thematic blocks 2; 4.1 + 4.2 + 4.3 + 4.4; 4.5 + 4.6 + 5. (The contents of block 4.7 will appear throughout the syllabus and, consequently, in any of the assessment tests). At the end of the session, the students submit the results obtained and are evaluated.

The evaluable activity corresponding to block 2 will count for 20% of the total mark

The evaluable activity corresponding to blocks 4.1 + 4.2 + 4.3 + 4.4 will count for 40% of the total grade

The evaluable activity corresponding to blocks 4.5 + 4.6 + 5 will count for 40% of the total grade

Annotation: within the schedule set by the centre or degree programme, 15 minutes of one class will be reserved for students to evaluate their lecturers and their courses or modules through questionnaires.

Assessment

Continuous assessment activities

Title Weight Hours ECTS Learning outcomes
Assessment activity Blocks 4.1 + 4.2 + 4.3 + 4.4 40% 2 0.08 1, 2, 3, 4, 5, 6
Assessment activity Blocks 4.5 + 4.6 + 5 40% 2 0.08 1, 2, 3, 4, 5, 6
Final make-up exam 100% 3 0.12 1, 2, 3, 4, 5, 6
Evaluation activity Block 2 20% 2 0.08 1, 2, 5, 6

a) Continuous evaluation:

The subject is assessed continuously with 3 individually assessable activities, one with the contents of block 2 (which accounts for 20% of the total), another with the contents of blocks 4.1 + 4.2 + 4.3 + 4.4 (which accounts for a 40% of the total) and another with the contents of blocks 4.5 + 4.6 + 5 (which accounts for 40% of the total). These activities will take the form of a partial exam in the computer labs.

In the case of irregularities in any of these assessable activities, the criteria of point e) will be applied.

To pass the subject, you will need to get a minimum of 5.0 as an average grade in the continuous assessment and a minimum grade of 3.0 in each assessable activity.


b) Review of qualifications:

For each assessment activity, a review place, date and time will be indicated in which the student can review the activity with the teacher. In this context, claims can be made about the grade of the activity, which will be evaluated by the teaching staff responsible for the subject. If the student does not appear for this review, this activity will not be reviewed later.

c) Recovery:

The student who does not pass the subject through continuous assessment may take a final recovery exam, which will include content from the entire subject and which will count for 100%

The minimum grade to pass this final exam is again 5.0. In the case of not appearing for this exam, the student will keep the grade of the continuous assessment (whatever it is).

The student can present himself for recovery as long as he has presented himself to a set of activities that represent a minimum of two-thirds of the total grade of the subject.

d) Qualifications:

Honorary matriculations. Awarding an honors matriculation qualification is the decision of the teaching staff responsible for the subject. UAB regulations indicate that MH can only be granted to students who have obtained a final grade equal to or higher than 9.00. Up to 5% of MH of the total number of enrolled students can be awarded.

A student will be considered non-evaluable (NA) if he has not taken part in a set of activities whose weight is equivalent to a minimum of two-thirds of the subject's total grade.

e) Irregularities by the student, copying and plagiarism:

Without prejudice to other disciplinary measures deemed appropriate, irregularities committed by the student that could lead to a change in the grade of an assessment act will be graded with a zero. Therefore, copying, plagiarism, deception, copying, impersonation, etc. in any of the assessment activities will involve failing it with a zero. Assessment activities qualified in this way and by this procedure will not be recoverable. If it is necessary to pass any of these assessment activities to pass the subject, this subject will be suspended directly, with no opportunity to recover it in the same course. In this case, the student's final grade is a FAIL (3.0 numerical grade).

f) Calendar and schedule:

The dates of continuous assessment and assignment of assignments will be published in the corresponding Moodle classroom and may be subject to possible changes in programming for reasons of adaptation to possible incidents. You will always be informed via the Moodle classroom about these changes as it is understood that this is the usual platform for exchanging information between teachers and students.

This subject does not provide for a single assessment system.

In this subject, the use of Artificial Intelligence (AI) technologies is not allowed in any of its phases. Any work that includes fragments generated with AI will be considered a lack of academic honesty and may lead to a partial or total penalty in the grade of the activity, or greater sanctions in serious cases.


Bibliography

Manuals and help for the software used

  • Aspen Physical Property Methods V14 (October 2023)
  • Aspen Physical Property Models V14 (October 2023)
  • Aspen HYSYS. Unit Operations Reference Guide V14.1 (May 2023)

Specific bibliography of the cases considered

  • Edgar, T. F., et al. “Optimization of Chemical Processes”, 2nd Edition (2001)
  • Foo, D., “Chemical Engineering Process Simulation”, 2nd Edition (2023)
  • Turton, R., “Analysis, Synthesis, and Design of Chemical Processes, 5th Edition (2018)
  • Hanyak Jr., M.E., “Chemical Process Simulation and the Aspen HYSYS software” (2020)

Software

The various softwares contained in the AspenTech suite (aspenONE) will be used.

Optionally, you can use Matlab and MS Excel in some optimization exercise

Optionally, a seminar with other commercial simulators will be offered.

Course groups and languages

The information provided is provisional until November 30. After this date, you will be able to consult the language of each group through this link. To access the information, you will need to enter the course CODE

Type of teaching Group Language Semester Shift
(PLAB) Practical laboratories 211 Catalan second semester morning-mixed
(PLAB) Practical laboratories 212 Catalan second semester morning-mixed
(PLABs) Suport a les pràctiques de laboratori 213 Catalan second semester morning-mixed