SKILLS



Specific Skills:



1. Set out the fundamentals and general procedure of chemical process modeling. Related to the module competences: TEQI2, TEQI4, TEQI8.



2. Model and simulate simple chemical processes and unit operations typical in the chemical industry, in steady and non-steady state, by means of individual and cooperative work. Related to the module competences: TEQI2, TEQI4, TEQI8, TEQI9, TEQI10.



3. Analyze and use commercial software to simulate chemical processes, through individual and cooperative work, generating the appropriate documentation. Related to module competences: TEQI2, TEQI8, TEQI9, TEQI10.



4. Propose and apply optimization methods for process analysis and improvement. Related to module competences: TEQI2, TEQI8, TEQI9, TEQI10.



5. Development of mathematical modeling projects of chemical engineering processes and equipment together with their corresponding simulation using commercial software, such as reactors, heat exchangers, etc. Related to the module competences: TEQI2,TEQI8,TEQI9,TEQI10. This competence collects the practical application of competences 1-4.



Transversal Skills



1. Adopt a responsible attitude, orderly at work and willing to learn, considering the challenge of continuous training (C12), developing resources for autonomous work (FB10).



2. Ability to work in a multilingual and multidisciplinary environment (C10).



3. Work effectively in a group integrating skills and knowledge to make decisions in the field of engineering (FB9).



4. Ability to solve problems with initiative, decision making, creativity, critical reasoning and to communicate and transmit knowledge, skills and abilities in the field of engineering (C4).



Autonomous work and oral communication skills will also be worked, which will allow students to acquire greater autonomy and self-regulation and the ability to adequately communicate their knowledge, procedures and results in the field of Chemical Engineering, respectively.



LEARNING RESULTS.



The acquisition of these competencies is expressed through the achievement of the specific learning results of the subject. These results are the following:



1. Know and understand the concepts of a simulation model, know its components, as well as the mathematical fundamentals on which it is based.



2. To have the ability to distinguish and adequately apply different types of mathematical models used to describe chemical processes.



3. To know the most important methods of process simulation (stepwise and differential simulation).



4. Know the concepts of linear and non-linear optimization and be able to solve optimization problems by means of graphical, analytical and numerical methods, as well as with computer tools.



5. Define and identify the objective function, process variables and operating constraints in optimization problems.



6. Model in an adequate way optimization problems and/or simple chemical processes (reaction, matter transfer and/or heat transfer) and use the appropriate tools to solve it.



8. To develop a computer program that simulates the operation of a chemical process that allows studying the influence of the different variables of the process.



9. Handle adequately the bibliography to obtain data of physicochemical properties and equilibrium of substances (heat capacities, enthalpies of reaction, etc.).



10. Analyze whether certain factors influence a variable of interest in a chemical process through the application of classical statistical models, and if there is influence of any factor, quantify such influence.

THEORETICAL PROGRAM



BLOCK I: METHODOLOGY OF PROCESS MODELING AND SIMULATION IN CHEMICAL ENGINEERING

TOPIC 1. FUNDAMENTALS OF MODELING AND SIMULATION

TOPIC 2. CLASSIFICATION OF MATHEMATICAL MODELS IN CHEMICAL ENGINEERING

TOPIC 3. FORMULATION OF DYNAMIC MODELS

TOPIC 4. SIMULATION OF CHEMICAL PROCESSES BY MEANS OF COMPUTER APPLICATIONS



BLOCK II: CASE STUDIES OF THE MODELING AND SIMULATION OF CHEMICAL ENGINEERING PROCESSES

TOPIC 5. MODULE OF REACTORS AND REACTIONS

TOPIC 6. MATTER TRANSFER MODULE

TOPIC 7. HEAT TRANSFER MODULE



BLOCK III: OPTIMIZATION OF CHEMICAL PROCESSES

TOPIC 8. FUNDAMENTALS OF OPTIMIZATION AND LINEAR OPTIMIZATION

TOPIC 9. NON-LINEAR OPTIMIZATION

TOPIC 10. DESIGN OF EXPERIMENTS



PRACTICAL PROGRAM



Laboratory Practices:

- PracticE 1: Chemical Reactors

- Practice 2: Distillation

- Practice 3: Extraction



Computer Practices: Learning of different process simulation softwares.

For the development of the contents of the previous section, and consequently, for the achievement of the corresponding learning objectives, it is summarized in the following points: the activities to be developed correspond to master classes, classroom practices, computer practices and laboratory practices. Moreover, a project will be developed jointly with the subject of Chemical Reaction Engineering (IRQ) during the course and which will have a direct link with the design and simulation of Real Reactors.



Lectures (M): consists of the explanation of contents and illustrative examples, in correspondence with each of the topics related to modeling, simulation and optimization of Chemical Processes.



Classroom Practices (PA): Classroom practice activities will be developed in correspondence with the topics included in the class activities.



Computer Practices (PO): The computer practices will allow to put into practice the knowledge acquired through lectures, classroom practices and personal work of the students. The students will work with a process simulator (DWSim) and a mathematical modeling software (Berkeley-Madonna) that will allow the resolution of mathematical models and the simulation in steady state and non-steady state of the main processes in the Chemical Industry. For the mixed evaluation option, attendance and completion of the PO is mandatory.



Laboratory Practices (PL): in the PL three small projects of modeling and simulation of chemical engineering equipment will be developed, such as a real reactor, an extraction equipment and a distillation equipment. These projects include obtaining experimental data to determine the parameters of the models (to be performed in the laboratory), the subsequent development of the mathematical model of the equipment and its resolution to be able to perform the simulation of these equipments under different operating conditions. For the mixed evaluation option, the attendance and completion of the PLs is mandatory.



It will also be possible to attend tutorials, both individually and in groups, which will be used to solve doubts, guide work and problems, situate the evolution of the student within the subject, suggest improvements to increase academic performance, and so on. In general, it is a voluntary activity (individual or collective) and is carried out at the request of the students.



If health circumstances require online teaching, the characteristics of this subject allow it to be developed, as it is designed, using the computer resources made available by the UPV/EHU (eGela, and so on).

In the subject “Simulation and Optimization of Chemical Processes” two different systems will be used to evaluate the students: continuous evaluation (mixed) and final evaluation.



1. MIXED EVALUATION SYSTEM



This evaluation involves a series of tests and activities spaced throughout the course. The evaluation will be based on the following activities:



-60% EXAM: a written part obout theoretical-practical questions and another part by means of computer to solve problems of the subject.

-20% REPORTS FROM THE LABORATORY PRACTICES (IN GROUP): three written reports of the laboratory practices that include the answers to the questions raised in each practice, and whose weighting will be 10% for the practice of Chemical Reactors, 5% for the Distillation and 5% for the extraction. The Chemical Reactors practice is directly linked to the collaborative project between IRQ and this subject.

-10% PROBLEM SOLVING (INDIVIDUAL or IN GROUP): delivery of different exercises and questionnaires set by the professor during the course, which can be done autonomously or through collaborative work.

-5% oral presentation (INDIVIDUAL): at the end of the four-month period, oral presentations will be made regarding the report of the Chemical Reactors practice. In addition, this presentation will encompass the main conclusions drawn from the collaborative project with IRQ

-5% COOPERATIVE WORK



The evaluation instrument for each activity and for the cooperative work is a rubric or evaluation matrix, which will detail the criteria and indicators used to evaluate the achievement of the competencies.



The exam, the reports and the problems delivered will be evaluated by the teacher of the subject, while the oral presentation will evaluanted not only by the teacher, but also it will have a group component as the rest of the members of the other groups will evaluate different aspects of the oral presentation of their classmates, as well as the answers emitted to the tribunal. In addition, each group will have to make at least two constructive feedbacks to the presentations of the other groups.The cooperative work will be evaluated by the members of each of group, through cross-surveys where the functioning of the group and the participation of each of its members will be determined.



The requirements for approving by means of the mixed evaluation system are:

a) Completion of all the established activities.

b) Minimum mark of 4/10 in the final exam.

c) Minimum mark of 3.5/10 in the evaluable activities.

d) Obtain an overall final mark of 5/10.

e) Attend at least 90% of the classes in which activities for both formative and summative evaluation are carried out.



Those students who do not comply with any of these requirements will be marked with a 4 (maximum) in the corresponding report, regardless of the final grade obtained.



2. FINAL EVALUATION SYSTEM:



Students have the possibility of renouncing the continuous evaluation system and opt for the final evaluation, regardless of having participated or not in the aforementioned continuous evaluation. Students who do not opt for the mixed evaluation system will have to undergo a final evaluation consisting of:



100% EXAM:a written part obout theoretical-practical questions and another part by means of computer to solve problems of the subject. Each part will have a value of 50% of the final mark.



To overcome this exam the student must obtain at least a 4 out of 10 in both the written part and computer part, and an average mark between both parts of 5/10.



Apply for the final evaluation system:



If the student does not wish to participate in the continuous evaluation system, he/she must submit to the teacher of the subject the resignation of the continuous evaluation, for which he/she will have a period of 9 weeks, counting from the beginning of the four-month period , in accordance with the academic calendar of the center (Article 8.3 Regulations governing the evaluation of students in official undergraduate degrees, UPV/EHU). Applications will not be accepted by other ways, nor after the deadline.



RESIGNATION OF THE EVALUATION CONVOCATION



In the case of continuous evaluation, students may resign the call for assessment within a period that, at least, will be up to one month before the end of the teaching period of the subject. This resignation must be submitted in writing addressed to the teacher responsible of the subject. Resignations will not be accepted by other ways, nor after the deadline. However, in the case of a final evaluation, non-presentation of the previously established individual exams will imply the automatic resignation of the corresponding call.



In the event that it is not possible to carry out a presential evaluation of the subject, the pertinent changes will be made for the realization of an online evaluation through the use of the existing computer tools in the UPV/EHU.

Contents of the subject matter are provided by the professor through eGela.

Basic bibliography

Books:

-Ingham, J., Dunn, I.J., Heinzle, E., Prenosil, J.E.; Chemical Engineering Dynamics: Modelling with PC Simulation, (3ª Ed.) Wiley-VCH, Weinheim, 1994. ISBN 3-527-28577-6.

-Edgar, T., Himmelblau, D.M., Lasdon L.S.; Optimization of Chemical Processes, (2º Ed) McGraw-Hill Publishing, New York, 2001. ISBN: 0-07-039359-1

-Scenna, N.J.; Modelado, Simulación y Optimización de Procesos Químicos, Universidad Tecnológica Nacional, Buenos Aires, 2000. ISBN: 950-42-0022-2

-Franks, R.G.; Modelling and Simulation in Chemical Engineering, Wiley-Interscience, New York, 1972. ISBN: 0-471-27535-2

In-depth bibliography

-Luyben, W.L.; Process Modeling, Simulation and Control for Chemical Engineers, (2º Ed) McGraw-Hill Publishing, Singapore, 1990. ISBN: 0-07-039159-9
-Himmelblau, D.M.; Bischoff, K.B.; Análisis y Simulación de Procesos. Editorial Reverte, Barcelona, 1976. ISBN: 84-291-7235-1
-Puigjaner, L.; Ollero, P.; de Prada, C.; Jiménez, L; Estrategias de Modelado Simulación y Optimización de Procesos Químicos, Editorial Síntesis, Madrid, 2006. ISBN: 9788497564045
-Turton, R., Shaeiwitz, J.A., Bhattacharyya, D., Whiting, W.B.; Analysis, synthesis, and design of chemical processes, (5º Ed) Prentice Hall, New Jersey, 2018. ISBN: 0-13-417740-1.
-Biegler, L.T., Grossman I.E., Westerberg A.W.; Systematic methods of chemical process design, Prentice Hall, New Jersey, 1997. ISBN: 0-13-492422-3.
-Dimian, A., Bildea, C., Kiss, A. Integrated design and simulation of chemical processes, (2ª Ed) Elsevier, Amsterdam, 2014. ISBN: 9780444627001.
-Seider W.D., Seader J.D., Lewin D.R; Product and Process Design Principles. Synthesis, Analysis and Evaluation, (4ª Ed) John Wiley & Sons, 2016. ISBN: 978-1-119-28263-1
-Smith, R.; Chemical Process Design and Integration, (2ª Ed.) Wiley-Blackwell, 2016. ISBN: 1119990130.
-Ravindran, A., Ragsdell, K.M., Reklaitis G.V; Engineering Optimization: Methods and Applications, (2ª Ed.) John Wiley & Sons, 2016. ISBN: 978-0-471-55814-9.

Journals

-Ecological Modelling ISSN: 0304-3800
-Environmental Modelling & Software ISSN: 1364-8152
-Computers & Chemical Engineering ISSN: 0098-1354
-Chemical Engineering Research and Design ISSN: 0263-8762
-Chemical Product and Process Modeling ISSN: 1934-2659
-Journal of Chemical Information and Modeling ISSN: 1549-9596
-Advanced Modeling and Simulation in Engineering Sciences ISSN: 2213-7467