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Thermodynamics and Kinetics

Code: 105039
Credits: 6
2026/2027
Degree programme Type Course
Chemistry OB 2

Contact lecturer

Name :
Mireia Garcia Viloca
Email :
mireia.garcia@uab.cat

Teaching staff

Àngels Gonzalez Lafont
Mireia Garcia Viloca
Giuseppe Sciortino

Group languages

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

Prerequisites

Fundamentals of Chemistry I and II, Physics I and II, Mathematics I and II, Quantum Chemistry

Objectives

The objective of this subject is that the student advances in their training in Physical Chemistry. In this subject, we intend to deepen the application of the laws of Thermodynamics to specific chemical systems, using the concept of chemical potential in homogeneous and heterogeneous systems of one or more components. On the other hand, we also want to introduce the complementarity of the macroscopic and microscopic visions of matter to calculate and interpret their thermodynamic properties using the bases of Statistical Thermodynamics. Finally, we will do an introduction to Chemical Kinetics, emphasizing the study of reaction mechanisms using the microscopic interpretation of reaction rates given by the Transition State Theory.

Learning outcomes

  • CM14 (Interpret data obtained from experiments or computer simulations to relate the physicochemical properties of compounds, solutions and surfaces with their structure and composition.) Interpret data obtained from experiments or computer simulations to relate the physicochemical properties of compounds, solutions and surfaces with their structure and composition.
  • CM15 (Design experiments and computational simulations to determine the structure of chemical compounds, the kinetics of their chemical and electrochemical transformations, as well as transport and surface phenomena.) Design experiments and computational simulations to determine the structure of chemical compounds, the kinetics of their chemical and electrochemical transformations, as well as transport and surface phenomena.
  • CM16 (Assess the suitability of experiments designed to determine the physicochemical properties of chemical compounds, the kinetics of their transformations, and transport and surface phenomena.) Assess the suitability of experiments designed to determine the physicochemical properties of chemical compounds, the kinetics of their transformations, and transport and surface phenomena.
  • KM16 (Recognize the concepts and principles that describe the structure and properties of atoms and molecules, the spontaneity and kinetics of chemical processes, and the properties of phase solutions and equilibria.) Recognize the concepts and principles that describe the structure and properties of atoms and molecules, the spontaneity and kinetics of chemical processes, and the properties of phase solutions and equilibria.
  • KM18 (Identify experiments and simulations that can determine the physicochemical properties of molecules, the kinetics of the reactions, as well as adsorption and electrochemical processes.) Identify experiments and simulations that can determine the physicochemical properties of molecules, the kinetics of the reactions, as well as adsorption and electrochemical processes.
  • SM16 (Interpret at the atomistic level the structure of chemical compounds, the origin of spontaneity and the kinetics of their chemical and electrochemical transformations, as well as the associated transport and surface phenomena.) Interpret at the atomistic level the structure of chemical compounds, the origin of spontaneity and the kinetics of their chemical and electrochemical transformations, as well as the associated transport and surface phenomena.
  • SM17 (Solve problems related to the thermodynamics and kinetics of chemical and electrochemical transformations, transport phenomena and surface chemistry.) Solve problems related to the thermodynamics and kinetics of chemical and electrochemical transformations, transport phenomena and surface chemistry.
  • SM18 (Use computational instruments and simulations to determine the physicochemical properties of molecules and materials, to analyse reaction kinetics and to interpret surface and electrochemical processes.) Use computational instruments and simulations to determine the physicochemical properties of molecules and materials, to analyse reaction kinetics and to interpret surface and electrochemical processes.

Contents

1.Introduction to statistical thermodynamics


2. Thermodynamic properties of the ideal gas


3. Molecular interpretation of chemical equilibrium


4. Introduction to chemical kinetics


5. Mechanisms of reaction


6. Transition State Theory


7. Material equilibrium, Gibbs energy and chemical potential


8. Phases equilibrium in systems of one component


9. Dissolutions


10. Thermodynamics of real systems.

Learning activities and methodology

Title Hours ECTS Learning outcomes
Personal work 65 2.6
Theoretical classes 33 1.32
Laboratory practices 16 0.64
Problems classes 13 0.52

Guided activities:

Theoretical classes, problem classes, laboratory practices

Autonomous activities:

Study, problem solving, readings and obtaining information, preparation of laboratory practices, bibliographic search.

By order of the Vice-Rector for Quality and Academic Accreditation, the teaching guides will indicate that the teacher must allocate approximately 15 minutes of some class to allow their students to answer the evaluation surveys of the teaching and evaluation of the subject or module.

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
Individual work 10 5 0.2 CM14, CM15, CM16, KM16, KM18, SM16, SM17, SM18
Laboratory practices 20 8 0.32 CM14, CM15, CM16, KM16, KM18, SM16, SM17, SM18
Exams 70 10 0.4 CM14, KM16, SM16, SM17, SM18

CONTINUOUS EVALUATION


Written exams: Two partial exams will be carried out during the course, on the dates set by the coordination. Each of these exams will weight 35% on the final grade. The minimum mark required at each partial assessment to average with the rest of evaluating activities is 4,0. If these minimum requirements are not satisfied at the end of the term, there will be a recovery exam on the whole contents of the course or of a part of the course. The note obtained in the recovery exam will replace the grade got in the first attempt.


To participate in the retake exam, students must have previously been evaluated, at least: in a partial exam, in laboratory practices and in the individual/group work activity.


The students will obtain the qualification of "Not assessable" if the number of their evaluation activities is less than 67% of the programmed ones for the subject.


Laboratory practices: The laboratory practices will be evaluated based on the results obtained in each practice and from a quizz that will have to be answered at the end of the period of practices. The average mark obtained from the practices in the laboratory will be equivalent to 20% of the final mark of the subject.


Individual/Group Work: During the course, an activity to be resolved in the classroom or outside the classroom will be proposed. The mark obtained in this activity will have a weight of 10% on the final mark of the subject.


The requirements to pass the subject are:

1) The mark of each partial exam must be equal to or greater than 4,0. The minimum mark in the part of the retake exam that corresponds to the contents not passed must be 4,0.

2) The average mark of the subject must be equal to or greater than 5,0.

3) Attendance to the sessions of laboratory practices is obligatory during all the established hours. The mark of the laboratory practices must be equal or greater than 5,0.


SINGLE EVALUATION


The students who have taken advantage of the single assessment modality will have to take a final test that will consist of an examination of the entire theoretical syllabus and problems of the subject.

This test will take place on the day that the continuous assessment students take the second partial exam.

The student's grade will be:

Subject grade = (Final test grade * 80 + Practice grade * 20)/100

If the final mark does not reach 5, the student has another opportunity to pass the subject through the recovery exam that will be held on the date set by the coordination of the degree. In this test it will be possible to recover 80% of the mark corresponding to the theory part. The practice part is not recoverable. The students will obtain the qualification of "Not assessable" if they have taken neither the exam of the final test nor the recovery exam.


PLAGIARISM OR FRAUDULENT CONDUCT


The commission of any irregularity in an assessment act (academic fraud, plagiarism or improper use of AI, unless such use is expressly authorized in the teaching guide), which may lead to a significant variation in the grade, means that this act will be graded with a 0. In the event that the teaching guide provides that in order to pass the subject it is an essential requirement to have obtained a minimum grade in this assessment act or that several irregularities occur in the assessment acts of the same subject, the final grade for this subject is 0. Apart from this, a disciplinary process may be initiated against the student who incurs any of these irregularities.


ARTIFICIAL INTELLIGENCE


In this subject, the use of Artificial Intelligence (AI) technologies is limited exclusively to consultation or support tasks. Any AI-based contribution to generate content that is a direct part of the assessable evidence must be duly reasoned, reinterpreted and expressed in the student's own words. The use of AI-generated content without this own elaboration 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

Available books in the Biblioteca de Ciència i Tecnología (UAB):

Físicoquímica / Ira N. Levine ; traducción: Ángel González Ureña ; con la colaboración de Antonio Rey Gayo [i 4 més]

Levine, Ira N., 1937-, autor

Document físic

Fisicoquímica para las ciencias químicas y biológicas / Raymond Chang ; traducción técnica Rosa Zugazagoitia Herranz ; revisión técnica Alberto Rojas Hernández ... [et al.]

Chang, Raymond

Document físic

Physical chemistry / Ira N. Levine

Levine, Ira N.

Document físic

Physical chemistry for the life sciences / Peter Atkins, Julio de Paula

Atkins, P. W. (Peter William), 1940-

Document físic

Química física / Peter Atkins, Julio de Paula

Atkins, P. W. (Peter William), 1940-

Document físic

Química física / Peter Atkins y Julio de Paula ; traducido por Ernesto Timmermann... [et. al.]

Atkins, P. W. (Peter William), 1940- autor

Document electrònic

Química molecular estadística : termodinámica estadística para químicos y bioquímicos / Iñaki Tuñón, Estanislao Silla

Tuñón, Iñaki

Document físic

Thermodynamics and statistical mechanics [Recurs electrònic] / John M. Seddon & Julian D. Gale

Seddon, John M.

Document electrònic

 

Fundamentos de cinética química / S. R. Logan ; traducción Concepción Pando García-Pumarino

Logan, S. R.

Document físic

Physical chemistry for the biosciences / Raymond Chang

Chang, Raymond

Document físic

Principios de fisicoquímica / Ira N. Levine ; revisión técnica: Carlos Amador Bedolla, René Huerta Cevallos ; [traducción: Gabriel Nagore Cázares]

Levine, Ira N.

Document físic

Principios de fisicoquímica / Ira N. Levine (Chemistry Department Brooklyn College City University of New York, Brooklyn, New York) ; revisión técnica, Carlos Amador Bedolla (Universidad Nacional Autón

Levine, Ira N. 1937- autor

Document electrònic

Software

For the computational practices the following programs will be used:

Gaussview 6.0.16

Gaussian 16, B.01

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
(TE) Theory 1 Catalan second semester morning-mixed
(PAUL) Classroom practices 1 Catalan second semester morning-mixed
(PLAB) Practical laboratories 1 Catalan second semester morning-mixed
(PLAB40) Pràctiques de laboratori (40 estudiants per grup) 1 Catalan second semester morning-mixed
(PLAB40s) Suport a les pràctiques de laboratori (40 estudiants per grup) 1 Catalan second semester morning-mixed
(TE) Theory 2 Catalan second semester morning-mixed
(PAUL) Classroom practices 2 Catalan second semester morning-mixed
(PLAB) Practical laboratories 2 Catalan second semester morning-mixed
(PLAB40) Pràctiques de laboratori (40 estudiants per grup) 2 Catalan second semester morning-mixed
(PLAB40s) Suport a les pràctiques de laboratori (40 estudiants per grup) 2 Catalan second semester morning-mixed
(PLAB) Practical laboratories 3 Catalan second semester morning-mixed
(PLAB40) Pràctiques de laboratori (40 estudiants per grup) 3 Catalan second semester afternoon
(PLAB40s) Suport a les pràctiques de laboratori (40 estudiants per grup) 3 Catalan second semester afternoon
(PLAB) Practical laboratories 4 Catalan second semester morning-mixed
(PLAB40) Pràctiques de laboratori (40 estudiants per grup) 4 Catalan second semester afternoon
(PLAB40s) Suport a les pràctiques de laboratori (40 estudiants per grup) 4 Catalan second semester afternoon
(PLAB) Practical laboratories 5 Catalan second semester afternoon
(PLAB) Practical laboratories 6 Catalan second semester afternoon
(PLAB) Practical laboratories 7 Catalan second semester afternoon
(PLAB) Practical laboratories 8 Catalan second semester afternoon