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Máster Universitario en Ingeniería Química

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Cinética Química Aplicada

Código asignatura
MINQUI01-C-019
Curso
Primero
Temporalidad
Primer Semestre
Carácter
Obligatoria
Créditos
6
Pertenece al itinerario Bilingüe
No
Actividades
  • Prácticas de Aula/Semina (7 Hours)
  • Tutorías Grupales (4 Hours)
  • Clases Expositivas (49 Hours)
Guía docente

The course “Applied Chemical Kinetics” belong to the Fundamental module of the “Bachelor in Chemical Engineering” by the University of Oviedo. The course is mandatory and it is taught in the first term of the 3rd course by the Area of Chemical Engineering of the Chemical and Environmental Department.

The core of this course addresses the study of the kinetic equations of chemical reactions, both homogenous and heterogeneous. This will allow the study of the design of the chemical reactors, where these reactions take place. In this course, the equations of the ideal reactors will be used to determine the kinetic data. The student will use the methods of analysis of kinetic data to determine the order of reaction and kinetic constants. The development of the kinetics for heterogeneous reactions, both catalytic and non-catalytic, is also addressed.

This course is directly related to other theoretical courses previously addressed by the student, specifically, “Foundations of Chemical Engineering” and “Transport Phenomena”. These courses are basic to understand the concepts studied in “Applied Chemical Kinetics”. The completion of the present course will allow the study of other courses taught later, such as, “Chemical Reactors” and “Laboratory of Chemical Engineering III”.

The instructor of the course belongs to the Area of Chemical Engineering of the Chemical and Environmental Department.

The student must have previously passed the course “Physical Chemistry”.

In addition, it is recommended that the students have basic knowledge of the following courses: “Mathematics” (solving of integrals and algebraic and differential equations), “Statistics” (regression) and “Chemistry” (basic concepts of chemical kinetics and equilibrium).

It is also advised that the students have passed the courses “Foundations of Chemical Engineering” and “Transport Phenomena”.

The competencies addressed in this course are the following:

General competences

CG2. Ability to organize and plan the formulation and resolution of problems within a research and production scope.

CG3. Understand and be understood orally and in writing in one's own language and, at least, in a relevant foreign language for the scientific, technological or commercial scope. Ability to prepare, present and defend written and oral reports.

CG4. Ability to apply knowledge of computer science and computer-aided design to solve calculus and design problems in their professional field.

GC13. Ability to solve problems with initiative, decision making, creativity, critical reasoning and to communicate and transmit knowledge, skills and abilities in the field of Chemical Engineering.

GC15. Ability to the study, research and scientific and technological development in the field of Chemical Engineering, in a creative and continuous way.

GC16. Ability to carry out work as an expert and to lead work teams in industrial plants where physical or chemical operations or processes are carried out.

GC20. Knowledge of basic and technological subjects that enables them to learn new methods and theories and provides them with the versatility to adapt to new situations.

Specific competences

CE3 (a). Knowledge of applied thermodynamic and heat transfer: basic principles and application to problem solving in engineering. General laws of Thermodynamics and Physical and Chemical Kinetics, for the establishment of the mathematical models controlling the equilibrium relationships and the rate of the process.

CE27(p). Capacity of design and management of procedures for applied testing, specially, for the determination of thermodynamic and transport properties and the modelling of systems and process in the scope of Chemical Engineering, e.g., systems with fluid flow, heat transfer, mass transfer operations, reaction kinetics and chemical reactors.

CE32(p). Capacity for the design of chemical reactors involving homogeneous and heterogeneous chemical reactions.

These competences have been particularized for the present course in the following learning outcomes:

RCQA1: Know and handle equations relating reaction rate with composition and temperature.

RCQA2: Apply the methods of kinetic data analysis for the determination of the kinetic equation.

RCQA3: Deduce, know and apply the kinetic equations for non-catalytic heterogeneous reactions.

RCQA4: Propose and solve the kinetic equations for catalytic reactions. Calculate the parameters involved in the kinetic equation.

RCQA5: Know the kinetic equations of enzymatic, microbe and electrochemical reactions.

SECTION I. BASIC CONCEPTS

Lesson 1. Introduction. Stoichiometry and chemical equilibrium

Chemical reaction. Chemical reaction engineering. Stoichiometry. Macroscopic mass balances. Chemical equilibrium.

Lesson 2. Chemical reactors

Chemical reactors. Discontinuous reactor. Continuous reactors. Models of ideal contact: perfect mixture and piston flow. Models of ideal reactors.

SECTION II. KINETICS OF HOMOGENEOUS REACTIONS

Lesson 3. Simple reactions

Kinetic equation. Dependence with temperature. Power-law kinetics with one reactant. Power-law kinetics with two reactants. Reversible reactions. Homogeneous catalytic reactions.

Lesson 4. Techniques of kinetic analysis

Experimental determination. Differential analysis method. Initial reaction rate method. Integral analysis method. Half-lifetime method. Other methods.

Lesson 5. Multiple reactions

Multiple reactions. Mass balances in multi-component systems. Reactions in series. Reactions in parallel. Determination of the stoichiometry.

Lesson 6. Reaction theories and mechanisms

Transition state theory. Elementary reactions. Reaction mechanisms. Hypothesis of rate-limiting step. Hypothesis of steady state. Photochemical reactions.

Lesson 7. Enzymatic and microbe reactions

Enzymatic reactions. Kinetics of enzymatic reactions. Inhibition and deactivation of enzymes. Immobilization of enzymes. Microbe reactions. Kinetics of microbe reactions.

SECTION III. KINETICS OF HETEROGENEOUS CATALYTIC REACTIONS

Lesson 8. Reactions catalysed by solids

Solid catalysts. Types of solid catalysts. Characterization of solid catalysts. Adsorption. Kinetics of unimolecular reactions. Kinetics of bimolecular reactions. Experimental determination.

Lesson 9. Reaction and diffusion in porous solid catalysts

Physical and chemical kinetic steps. Internal or pore diffusion. Simultaneous diffusion and reaction. Apparent kinetic equation. Internal thermal effects. Experimental determination.

Lesson 10. Transport between phases in solid catalysts

Film theory. External or film diffusion. External thermal effects. Three-phase reactions. Double-film theory. Kinetics of three-phase reactions. Industrial-scale reactors.

Lesson 11. Deactivation of solid catalysts

Types of deactivations. Deactivation kinetics. Experimental determination. Design and operation strategies.

SECTION IV. KINETICS OF HETEROGENEOUS NON-CATALYTIC REACTIONS

Lesson 12. Fluid-fluid reactions

Characteristics and applications. Double-film theory. Kinetics of instantaneous reactions. Kinetics of slow reactions. Transport and reaction in film. Industrial-scale reactors.

Lesson 13. Solid-fluid reactions

Characteristics and applications. Types of kinetic models. Shrinking-core model. Experimental determination. Industrial-scale reactors.

Lesson 14. Electrochemical reactions

Electrochemical reactions. Electrochemical thermodynamics. Electrochemical kinetics. Mass transfer. Applications.

The course “Applied Chemical Kinetics” is a theoretical course of 6 ECTS with 40% of face-to-face lectures. Hence, given a total course load of 150 h, 60 h correspond to face-to-face lectures and 90 h are non-contact student work. In order to rationalize the organization of the course, the following distribution considers the different teaching methodologies:

Face-to-face lessons        Hours

     Lectures (CE)                      46          30.7%

     Classroom practices (PA)   7            4.7%

     Group tutorials (TG)            4            2.7%

     Evaluations                          3            2%

Non-contact work

     Group work                          30          20%

     Individual work                     60          40%

Total                                          150

The teaching methodology followed in the course is based on lectures (46 h), which are complemented with classroom practices (7 h) and group tutorials (4 h). In the lectures, the instructor presents the main theoretical concepts of the corresponding lesson and illustrates their applications by means of examples and case studies. For the classroom practices and group tutorials, the instructor will propose the students through the Virtual Campus assignments, such as, questionnaires, case studies and problems. During group tutorials, the students will present and discuss in class the proposed assignments.

At the beginning of the course, the students receive information, including the Teaching Guide, the course schedule and evaluation. The students will have in advance the graphical material used in the lectures and the statement of the problems addressed in the lectures, classroom practices and group tutorials. All of them will be available in the Virtual Campus, which is activated at the beginning of the course.

For all the theoretical courses of the subject “Chemical Engineering”, the same evaluation system, based on Continuous evaluation and Final exam, has been established. The following ponderation of the different types of evaluation applies to ordinary and extraordinary exam periods:

Type of Evaluation                             Learning outcomes                        Percentage

Continuous evaluation (PA y TG)      All                                                  20%

Final exam                                         All                                                  80%

Continuous evaluation (Classroom Practices and Group Tutorials)

The continuous evaluation corresponds to 20% of the final course mark. The assistance and benefit from Classroom Practices (PA) and Group Tutorials (TG) is compulsory. In duly justified cases, an assistance of, at least, 80% will be accepted. This type of evaluation will consider the work done by the student during the course period, including the assignments proposed in the Virtual Campus and the active participation in the context of Classroom Practices and Group Tutorials.

Final exam

By the end of the course, a final exam will take place to evaluate the mastery of the course subjects. The exam will consist of theoretical-practical questions (50% of the mark) and the solving of two problems (50% of the mark). To pass the course, the mark obtained in the theoretical-practical questions and problems must be, respectively, at least 30% of the mark assigned to each of these items. The final exam corresponds to 80% of the final course mark. In order to pass the course, the mark of the final exam cannot be lower than 40% of its maximum mark.

If the stated prerequisites are met, the final course mark is calculated with the marks obtained in the Continuous evaluation and Final exam, taking into account the ponderation percentages indicated for each one in the previous table.

In the extraordinary exam periods (May and June), the final mark is calculated in the same way as for ordinary exam periods. The final course mark is calculated with the marks obtained in the Continuous evaluation and Final exam, taking into account the ponderation percentages indicated for each one in the previous table. In case of absence of mark for Continuous evaluation (for not having attended), a mark equal to cero will be assigned to this item for all the extraordinary exam periods.

The minimum percentages indicated above for the theoretical-practical questions and problems of the Final exam will also be applied in this exam period.

In the cases of differentiated evaluation, the attendance to Classroom practices (PA) and Group tutorials (TG) will not be compulsory. The mark corresponding to Continuous evaluation will be obtained from the proposed tasks and assignments. The final exam will be the same as for the rest of the students. The final course mark is calculated using the ponderation and minimum percentages indicated previously.

The resources used during the course (presentations, problem statements and solved problems) will be available for the students through the Virtual Campus. The use of specialized bibliography will be encouraged, specifically that available in the library of the University of Oviedo, physically in the library of the Faculty of Chemistry and on the internet. The recommended bibliography is the following:

Reference bibliography:

1. Levenspiel, O. (2004).  “Ingeniería de las Reacciones Químicas”. 3ª Ed. Limusa Wiley.

2. Fogler, H. S. (2001). “Elementos de Ingeniería de las Reacciones Químicas”. 3ª Ed., Prentice.

 Fogler, H. S. (2011). “Essentials of Chemical Reaction Engineering”. Pearson.

Additional bibliography:

1. Schmal, M. (2021). “Chemical Reaction Engineering”. CRC Press, 2nd edition.

2. González Velasco, J. R. y col. (1999). “Cinética Química Aplicada”. Ed. Síntesis, Madrid.

3. Missen, R. W., Mims, C. A., Saville, B. A. (1999). “Chemical Reaction Engineering and Kinetics”.  Wiley, New York.

4. Hill, C. G. (2014). ”Introduction to Chemical Engineering Kinetics and Reactor Design”. 2nd edition. John Wiley and Sons, New York.

5. Smith, J. M. (1991). “Ingeniería de la Cinética Química”. McGraw-Hill.

Software tools: Microsoft Excel