A. To know the principles of the kinetics of chemical reactions, both in homogeneous systems and in different heterogeneous systems, in the absence and presence of catalysts.

B. To know the basic reactors for obtaining kinetic data.

C. To understand and apply the methods that allow the establishment of kinetic equations and the determination of kinetic parameters.



At the end of the subject, the student should be able to develop works that require the following tasks/activities:

- Perform balances of matter in systems with chemical reaction.

- Calculate the conversion in batch and flowing systems.

- Establish the design equations for batch, continuous perfect mix and piston flow reactors.

- Develop reaction rate equations from mechanisms and experimental data.

- Apply differential and integral methods of data analysis.

- Maximize product selectivity in systems with multiple reactions.

- Understand the physical and chemical steps that occur in catalytic systems.

- Apply the reaction controlling steps and quantify the limitations of matter transfer in heterogeneous systems (catalytic and non-catalytic).

- To know the causes for the deactivation of solid catalysts and the possible strategies for their minimization.



Transversal or generic competences to be developed in the subject and in the degree:

Communication:

1. Ability of engineering language and scientific and technical terms.

2. Capacity for oral communication of results.

3. Ability to write technical reports and projects.

4. Participation and leading role in forums for debate/discussion of results.

Training:

5. Ability to face new problems and search for new solutions.

6. Interrelation of concepts between subjects.

7. Self-evaluation of results.

8- Critical and reasoning capacity.

9. Acquisition of ethical values.

Tools:

10. Use of bibliographic resources.

11. Computer and programming skills.

a. Use of general software: browsers, editors, spreadsheets, graphics, etc.

b. Programming and use of engineering specific software.

Organization:

12. Adaptation to group work.

13. Skills to organize work groups.

14. Planning and organization of personal work and time management.

1. INTRODUCTION TO KINETICS

The chemical reaction. Reaction rate. The kinetic equation. Influence of temperature on the reaction rate. Kinetic theories.

2. ELEMENTARY AND NON-ELEMENTARY REACTIONS

The reaction mechanism. Controlling stage. Kinetics of elementary reactions. Concentration evolution in elementary reactions of zero, one, two and n order. Elemental reactions with more than one reactant. Reaction mechanisms in non-elementary reactions: series, parallel and autocatalytic reactions. Mechanisms of chain reactions. Determination of the reaction mechanism.

3. DIFFERENTIAL METHODS FOR THE ANALYSIS OF KINETIC DATA

Obtaining experimental data. The discontinuous reactor. Reactions with a single reactant: methods of scoring, linear regression and nonlinear regression. Reactions with more than one reactant: excess and stoichiometric quantity methods. Reversible reactions. Series and parallel reactions. Other reactors to obtain kinetic data.

4. INTEGRAL METHODS FOR THE ANALYSIS OF KINETIC DATA

Reactions with a single reactant: linear regression, fractional lifetimes, half-life. Reactions with more than one reactant: excess and stoichiometric quantity methods. Reversible reactions. Series and parallel reactions. Discontinuous variable volume reactor. Fractional volume variation.

5. REACTIONS IN LIQUID PHASE AND IN SOLUTION

Effect of pressure in gas and liquid phase reactions. Reaction mechanisms in solution. Reaction rate in liquid phase.

6. HOMOGENEOUS CATALYSIS

The phenomenon of catalysis. Catalyst functions. Mechanisms and kinetic equations in homogeneous catalytic reactions. Catalysis by acids and bases. Specific and general catalysis.

7. SOLID CATALYSTS

Structure of a solid catalyst. Catalytic materials. Physical, chemical and catalytic properties. Preparation and characterization of solid catalysts. Reaction mechanisms on solid catalysts. Physical and chemical stages in the reaction mechanism. Controlling stage. Concentration and temperature gradients. Strategies for the determination and verification of the reaction mechanism.

8. KINETIC METHODS IN HETEROGENEOUS CATALYSIS

Reactors for data acquisition: basket reactor and fixed bed reactor (differential and integral). Calculation of kinetic parameters: initial velocities, differential method, integral method. Regression methods for parameter estimation.

9. DEACTIVATION OF SOLID CATALYSTS

Origin of deactivation: poisoning, aging, fouling (or deactivation by coking), loss of active material. Classification of deactivation processes. Calculation of the deactivation kinetic equation. Empirical and mechanistic deactivation equations.

10. NON-CATALYTIC HETEROGENEOUS REACTIONS

Non-catalytic heterogeneous reactions. Solid-fluid reactions in particles of constant size. Models for decreasing particle size. Experimental determination of the controlling stage.

Types of face-to-face teaching activities and student work:

Lecture or theoretical class (30 face-to-face hours): The professor exposes the objectives and most relevant kinetic aspects of each topic. For a good assimilation of the concepts and their application, he provides information, bibliography and documentation for the development of the teaching. The student assimilates the concepts, takes notes and plans the preparation of the subject. In addition, a proactive attitude is expected in class, raising doubts and complementary issues and responding to questions posed by the teacher. This participation will be taken into account in the final evaluation.

Classroom practice - problems (20 classroom hours): The professor selects model works and exercises to illustrate the concepts corresponding to the subject. He/she supervises and supports the problem solving work developed by the students. The student solves selected problems or the proposed works. He/she presents the results on the blackboard or through written reports.

Seminars - classroom tutorials (10 classroom hours): The teacher solves doubts and raises questions to be discussed. Analyzes the student's progress and perseverance. Recommends methods of work in the subject. Proposes work to the group. Guides and moderates the discussion of the results. The student actively participates in this teaching task, raising doubts arising in the programmed tasks. In addition, he/she exposes and discusses the results of the assigned works/problems, orally or in writing, individually or in group, on the assigned works. The participation in the seminars will be part of your final grade.



Types of non face-to-face teaching activities and student work:

Work, at home or in the library, personal and sometimes in groups using the available resources (theoretical classes, practical classes, bibliographic resources). Assimilates the fundamental concepts of each topic. Solves the questions raised in practical classes and tutorials. Solves the questions posed in the computer platform.

Acquires the necessary knowledge for his/her training as a chemical engineer and applies it in a reasoned way to practical situations.

Searches in the library or in other sources, preferably in the recommended bibliography, the necessary information for the extension of the topics exposed in the theoretical classes and for the resolution of theoretical questions and/or problems. The student acquires skills and abilities in the treatment of bibliographic resources to complement and reinforce the knowledge, making an effort in the discrimination between what is basic and what is of secondary importance (capacity of synthesis and analysis).

Dedication: 90 hours, 6 hours/week, 1.2 hours/day.

The percentages indicated in the previous section are average values. The application intervals are indicated below.

The ordinary evaluation of the course is carried out through the continuous evaluation system. In any case, students will have the right to be evaluated through the final evaluation system, in accordance with the provisions of the UPV/EHU Evaluation Regulations (BOPV, March 13, 2017), regardless of whether or not they have participated in the continuous evaluation system. The final evaluation will consist of the number of tests necessary to demonstrate the acquisition of the competences of the subject and will be carried out in the official examination calendar.

In the case of continuous evaluation, the final grade will be established by weighting the grades obtained throughout the course:

Performance of teaching activities and exercises in seminars and non face-to-face assignments: 60-40%.

Written tests to be developed: 40-60%.

For this subject, in both continuous and final evaluation cases, not attending the final test will involve that the final mark will be not presented.

Additional details about the characteristics of the tests and evaluation system can be found in the virtual platform of the course (http://www.egela.ehu.eus).

Textbook for the subject:
González Velasco, J.R., González Marcos, J.A., González Marcos, M.P., Gutiérrez Ortiz, J.I., Gutiérrez Ortiz, M.A., Cinética Química Aplicada, Ed. Síntesis, Madrid, 1999.

Subject material in eGela.

Basic bibliography

González Velasco, J.R., González Marcos, J.A., González Marcos, M.P., Gutiérrez Ortiz, J.I., Gutiérrez Ortiz, M.A., Cinética Química Aplicada, Síntesis ed., Madrid, 1999.

In-depth bibliography

Fogler, H.S., Essentials of Chemical Reaction Engineering, Prentice Hall, Boston 2011.
Smith, J.M., Ingeniería de la Cinética Química, CECSA, 3. ed., Madrid, 1992.
Izquierdo, J.F., Cunill, F., Tejero, J., Iborra, M., Fité, C., Cinética de las Reacciones Químicas, Universitat de Barcelona, Barcelona, 2004.
Izquierdo, J.F., Cunill, F., Tejero, J., Iborra, M., Fité, C., Problemas Resueltos de Cinética de las Reacciones Químicas, Universitat de Barcelona, Barcelona, 2004.
Pérez Báez, S.O., Gómez Gotor, A., Problemas y Cuestiones en Ingeniería de la Reacción Química, Bellisco ed., Madrid, 1998.
Soriano Costa, E., Alcaina Miranda, I., Cinética Química Aplicada. Problemas Resueltos, Universidad Politécnica de Valencia, Valencia, 1998.

Journals

Industrial & Engineering Chemistry Research
International Journal of Chemical Kinetics
AIChE Journal
Applied Catalysis A: General
Journal of Catalysis