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Simulation of Chemical Processes

Code: 106057 ECTS Credits: 6
Degree Type Year Semester
2500897 Chemical Engineering OB 3 2


Juan Antonio Baeza Labat

Teaching groups languages

You can check it through this link. To consult the language you will need to enter the CODE of the subject. Please note that this information is provisional until 30 November 2023.

External teachers

Josep Anton Feliu Gil


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 and Contextualisation

  1. Reinforce the bases that govern the main processes of Chemical Engineering: material and energy balances in stationary and non-stationary state.
  2. Learn commercial process simulation tools.
  3. Acquire the simulation skills necessary to pose and solve paradigmatic cases in Chemical Engineering, especially those that require advanced mathematical tools for their resolution.
  4. Apply simulation techniques to predict the behaviour of processes.
  5. Acquire the necessary knowledge to carry out parameter sensitivity analysis using mathematical simulation.
  6. Parameter adjustment and optimisation.


  • Analyse, evaluate, design and operate the systems or processes, equipment and installations used in chemical engineering in accordance with certain requirements, standards and specifications following the principles of sustainable development.
  • Demonstrate knowledge of the different reaction, separation and processing operations for materials, and transport and circulation of fluids involved in the industrial processes of chemical engineering.

Learning Outcomes

  1. Apply knowledge of separation operations and reactors to the preparation of models and to the simulation of processes.
  2. Use applicable computer assisted design techniques.


  1. Introduction. Simulation tools for equipment and process design.
  2. Simulation of steady state processes:
    1. Applied thermodynamics. Estimation of the properties of pure components and mixtures
    2. Chemical kinetics and ideal reactors
    3. Heat transfer and heat exchangers
    4. Transport of compressible and incompressible fluids
    5. Separation operations
    6. Mathematical tools for flow sheet adjustment
    7. Optimisation
  3. Dynamic simulation of processes (Non-steady state systems) - to be confirmed



The course is structured in four types of sessions:

  • 15 theoretical sessions (1 h) carried out in class where the cases that will be studied in the practical sessions will be presented.
  • 8 non-assessable practical sessions (2 h) held in the computer classrooms, in which students, in pairs, in the case of thematic blocks 2.1 to 2.7, carry out a practical example of one of the blocks.
  • 4 Assessable practical sessions (2 h) held in the computer classrooms, in which students, individually in the case of thematic blocks 2.1+2.2, 2.3+2.4, 2.5 and 2.6+2.7, carry out a practical example of each of the blocks. At the end of the session, the students hand in the results obtained and are evaluated.
  • 4 Seminars (1 h) led by experts in the field of business process simulation (external to the UAB).

The four evaluable activities from blocks 2.1 to 2.7 will count for a percentage of 25% of the final mark and are not recoverable.

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.


Title Hours ECTS Learning Outcomes
Type: Directed      
Theory classes 15 0.6 1, 2
Type: Supervised      
Non-assessable session Block 2.1 2 0.08 1, 2
Non-assessable session Block 2.2 2 0.08 1, 2
Non-assessable session Block 2.3 2 0.08 1, 2
Non-assessable session Block 2.4 2 0.08 1, 2
Non-assessable session Block 2.5 2 0.08 1, 2
Non-assessable session Block 2.6 2 0.08 1, 2
Non-assessable session Block 2.7 2 0.08 1, 2
Non-assessable session Block 3 2 0.08 1, 2
Seminars 4 0.16 1, 2
Type: Autonomous      
Study by students 104 4.16 1, 2


a) Continuous assessment:

The course is assessed on a continuous basis with 4 evaluable activities, with contents from Blocks 2.1 to 2.7, which count for 25% each.
The 4 assesable activities will measure the knowledge acquired by the students of the contents of Blocks 2.1 to 2.7. Blocks 2.1 and 2.2 will be assessed together, as well as blocks 2.3 and 2.4 and blocks 2.6 and 2.7. Block 2.5 will have an individual assessable activity. They will take the form of a partial examination in the computer laboratories.
In the case of irregularities in any of these assessable activities, the criteria of point e) will be applied.
In order to pass the course, a minimum mark of 5.0 will be required as an average mark in the continuous assessment and a minimum mark of 1.0 in each activity, except in the case that the student does not attend the activity.

b) Review of qualifications:
For each assessment activity, a place, date and time of review will be indicated in which the student can review the activity with the teacher. In this context, claims can be made on the mark for the activity, which will be assessed by the lecturer responsible for the subject. If the student does not attend this review, this activity will not be reviewed later.

c) Recovery:
Students who do not pass the course by means of continuous assessment (whether they have a Fail or a Non-assessable) may take a final make-up exam, which will include any part of the course and which will count for 100%. Students who have passed in order to improve their marks can also take the make-up exam, but they will then renounce the grade of the continuous assessment.
Any student who sits this exam automatically gives up any previous qualification s/he may have had on a continuous basis. The minimum mark for passing this final exam is again 5.0. If the student does not take this exam, he/she will keep the grade of the continuous assessment (whatever it is).
Students may sit the make-up exam provided they have taken a set of activities that represent a minimum of two thirds of the total grade for the course.

d) Qualifications:
Matricula d'honor. The decision to award an honours qualification is the decision of the lecturers responsible for the course. UAB regulations state that MHs can only be awarded to students who have obtained a final grade of 9.00 or higher. Up to 5% of the total number of students enrolled may be awarded MHs.
A student will be considered not assessable (NA) if he/she has not taken part in a set of activities, the weight of which is equivalent to at least two thirds of the total qualification of the course.

e) Irregularities on the part of the student, copying and plagiarism:
Without prejudice to other disciplinary measures that may be deemed appropriate, irregularities committed by the student that may lead to a change in the grade of an assessment act will be graded with a zero. Therefore, copying, plagiarism, cheating, allowing copying, etc. in any of the assessment activities will result in a fail mark of zero. Assessment activities graded in this way and by this procedure will not be recoverable. If it is necessary to pass any of these assessment activities in order to pass the course, this subject will be failed directly, with no opportunity to make it up in the same course. In this case, the student's final mark will be a fail (3.0 numerical grade).

f) Calendar and programming:
The dates of continuous assessment and work delivery will be published in the corresponding Moodle classroom and may be subject to possible changes in the programme for reasons of adaptation to possible incidents. Students will always be informed of these changes via the Moodle classroom as it is understood that this is the usual platform for exchange of information between teachers and students.

 This subject does not allow for a single assessment system.

Assessment Activities

Title Weighting Hours ECTS Learning Outcomes
Assessed activity Block 2.1 + 2.2 25% 2 0.08 1, 2
Assessed activity Block 2.3 + 2.4 25% 2 0.08 1, 2
Assessed activity Block 2.5 25% 2 0.08 1, 2
Assessed activity Block 2.6 + 2.7 25% 2 0.08 1, 2
Final make-up exam 100% 3 0.12 1, 2


Manuals and help for the software used

  • Aspen Physical Property Methods V12 (October 2020)
  • Aspen Physical Property Models V12 (October 2020)
  • Aspen HYSYS. Unit Operations Reference Guide V12.1 (May 2021)

Specific bibliography of the cases considered

  • Foo, D., “Chemical Engineering Process Simulation”, 2nd Edition (2022)
  • Turton, R., “Analysis, Synthesis, and Design of Chemical Processes, 5th Edition (2019)
  • Hanyak Jr., M.E., “Chemical Process Simulation and the Aspen HYSYS software” (2012)


The various softwares contained in the AspenTech suite (aspenONE) will be used.
Optionally, a seminar with other commercial simulators will be offered.