Identifying Data 2017/18
Subject (*) Advanced Physical Chemistry Code 610G01020
Study programme
Grao en Química
Descriptors Cycle Period Year Type Credits
Graduate 1st four-month period
Fourth Obligatoria 6
Language
Spanish
English
Teaching method Face-to-face
Prerequisites
Department Química
Coordinador
Iglesias Martinez, Emilia
E-mail
emilia.iglesias@udc.es
Lecturers
Brandariz Lendoiro, Maria Isabel
Iglesias Martinez, Emilia
E-mail
i.brandariz@udc.es
emilia.iglesias@udc.es
Web http://campusvirtual.udc.es
General description PALABRAS CLAVE: interaccións iónicas e fenómenos de transporte molecular. Ecuación de velocidade e mecanismos de reacción. Teorías Cinetoquímicas. Catálise homoxénea. Introdución á cinética eletroquímica. Macromoléculas e colóides.

DESCRICIÓN: A Química Física Avanzada aborda o estudo fenomenolóxico das interaccións entre ións e moléculas, que nos permiten comprender a configuración de macromoléculas de interese químico e biolóxico. Os fenómenos de transporte en solución fan posible a caracterización de macromoléculas e son fundamentais para a aplicación de determinadas técnicas para estudo da cinética das reaccións. A Cinética Química introduce a variable tempo no estudo dunha reacción química, analiza os factores que modifican a súa velocidade, a fin de deducir a ecuación de velocidade para finalmente propor un mecanismo de reacción a nivel molecular para interpretar a reacción macroscópico.

Study programme competencies
Code Study programme competences
A1 Ability to use chemistry terminology, nomenclature, conventions and units
A3 Knowledge of characteristics of the different states of matter and theories used to describe them
A4 Knowledge of main types of chemical reaction and characteristics of each
A10 Knowledge of chemical kinetics, catalysis and reaction mechanisms
A14 Ability to demonstrate knowledge and understanding of concepts, principles and theories in chemistry
A19 Ability to follow standard procedures and handle scientific equipment
A20 Ability to interpret data resulting from laboratory observation and measurement
A22 Ability to plan, design and develop projects and experiments
A23 Critical standards of excellence in experimental technique and analysis
A25 Ability to recognise and analyse link between chemistry and other disciplines, and presence of chemical processes in everyday life
A27 Ability to teach chemistry and related subjects at different academic levels
B1 Learning to learn
B3 Application of logical, critical, creative thinking
B4 Working independently on own initiative
C3 Ability to use basic information and communications technology (ICT) tools for professional purposes and learning throughout life
C6 Ability to assess critically the knowledge, technology and information available for problem solving

Learning aims
Learning outcomes Study programme competences
Methodology: · Be able to plan, design, and perform experiments related to the transport of matter and charge transport. · Be able to propose and design a kinetic study of a chemical reaction. · Simple software application to the quantitative analysis of kinetic data. · Interpretation of kinetic results on the basis of reaction mechanisms. · Simulation / prediction of unpublished data from the rate equation A3
A19
A20
A23
A27
B3
C3
Conceptual: · Knowledge of interionic interactions and inter-or intramolecular interactions and their relationship with association phenomena, self-aggregation or molecular conformation. · Mastering the own methods of chemical kinetics. Interpretation at molecular level (mechanistic) of chemical reactions. Understand and know the factors that can change the rate of a chemical reaction. · Understand the catalysis process and its relation to chemical-, photochemical- or electrochemical-activation A1
A4
A10
A14
B3
Attitudinal: · Provide appropriate reports of an experimental study · Analyze and critique published kinetic studies of low difficulty. A22
A23
A25
A27
B1
B3
B4
C3
C6

Contents
Topic Sub-topic
Ionic and molecular interactions · Ionic interactions in the liquid phase: activity coefficient. Debye-Hucke's law. Ionic strength.
· Molecular interactions. Dipole moment. Polarizability: equation of Clausius-Mossotti. Dipolar interactions. Hydrophobic interaction: self-aggregation and molecular conformation.
·Colloids: direct and reverse micelles, biological membranes.
· Macromolecules
Transport phenomena · Flux. Diffusion. Fick's first lay. Stokes-Einstein equation.
· Thermal conductivity
· Electric conductivity: the Deby-Huckel-Onsager theory.
· Viscosity
Rate equation and reaction mechanism · Integrated rate equation. Initial rates. Order of reaction. The method of flooding. Physical properties in kinetic studies. Experimental techniques.
· Complex reaction schemes: parallel and concurrent reactions, reversible reactions, consecutive reactions.
· The steady-state approximation.
· Reaction mechanisms: elementary reactions. Deduction of reaction mechanisms.
Kinetic Theories and their applications
· Collisions theory: the frequency factor
· Transition state theory. The activated complex. Statistical thermodynamics approach. Activation parameters. Potential energy surfaces.
· Reactions in the gas phase: Lindeman mechanism
· Reactions is solution. Diffusion controlled reactions
· Photochemical reactions
Catalysis · Homogeneous, heterogeneous and microheterogeneous catalysis
· General mechanism of catalysis: rate equations.
· Homogeneous catalysis: nucleophilic catalysis, acid-base catalysis, ...
· Linear free energy relations: the Swain-Scott equation, the Bronsted law, the Hammett correlation, the Taft equation.
· Microheterogeneous catalysis; micellar catalysis, enzyme catalysis.
Introduction to electrochemical kinetics · Electrochemical reactions: special topics
· Interface electrode-solution: the Gouy-Chapman model
· Rate of charge transfer. The Butler-Volmer equation
· Voltametry
Lab experiments · Laboratory experiments relative to Transport phenomena, determination of rate equations and catalytic processes.

Planning
Methodologies / tests Competencies Ordinary class hours Student’s personal work hours Total hours
Guest lecture / keynote speech A25 A27 B3 21 42 63
Seminar A25 A27 B3 B1 C6 7 28 35
Laboratory practice A19 A20 A22 A23 A25 A27 B1 B3 B4 C3 20 20 40
Oral presentation A20 A27 B3 C6 C3 1 5 6
Mixed objective/subjective test A1 A3 A4 A10 A14 A20 4 0 4
 
Personalized attention 2 0 2
 
(*)The information in the planning table is for guidance only and does not take into account the heterogeneity of the students.

Methodologies
Methodologies Description
Guest lecture / keynote speech • In the exposition classes the teacher introduces all concepts, models, methodologies and theories of the fundamental contents of the discipline program. Through the virtual campus, the student will can find the material that complements the class for his previous study and analysis. The previous reading of the subjects that expose in class, definitely, improves the academic yield and facilitates the interaction student-teacher.
Seminar • Seminars: session to make the most important concepts and methods understandable to undergraduate students by means of the resolution of questions, problems and the criticism of practical studies. One of the important objectives of the seminars is to learn how to solve numerical problems, which help emphasize features in the underlying theory, and they illustrate practical applications.
Laboratory practice •They will perform experiments related with the concepts treated in the discipline. The student will treat to reproduce simple laboratory experiments under the guidance of the instructor. Each student will have to elaborate a report of each experiment, following the indications of the professor, and /or the exposition / discussion of his results. It is required to pass the experimental probes to can pass the overall discipline.
Oral presentation • Presentation of the results obtained in the laboratory work using both the information and communication technologies. Discussion and criticism in group of thesa results.
Mixed objective/subjective test • Proposal of questions and exercises, related with the concepts introduced in the classes of theory, seminar or in Lab experiments, to solve. The student alone will demonstrate, during a fixed time interval, the adquired knowledges and his capacity for solving exercices and/or developing conceptual questions.

Personalized attention
Methodologies
Guest lecture / keynote speech
Seminar
Laboratory practice
Oral presentation
Description
It recommends to the students the use of tutorials to solve all kind of doubts, questions and concepts that have not remained sufficiently clear, and that refer, either to the development of material concepts or to find the answers to problems introduced in the seminars, laboratory practices or in the preparation of the final test. The teachers will be available to solve any question about the contents of the subject at the established timetable.
Students on a part-time basis or with a waiver for academic assistance will have both face-to-face and e-mail tutorials, whenever necessary.
Before carrying out the experimental work, the student will summarize the scientific article that reflects the experiment that will be reproduced. During its development the student is advised on the complications that may arise. After ending the Lab work, the instructor will help the student in the interpretation of the results, based on the theoretical models developed in the classroom for the quantitative treatment of the results.

Assessment
Methodologies Competencies Description Qualification
Seminar A25 A27 B3 B1 C6 • Seminar sessions are supported on the personal work of each student. These sessions help emphasize topics and concepts introduced in the different parts of the course. They also serve of discussion scenary of the methodologies and procedures applied in each case.
5
Laboratory practice A19 A20 A22 A23 A25 A27 B1 B3 B4 C3 • Lab experiments reflect the abillity and capacity of the student in the planning, design and development of simple experiments.
• Essay of different techniques in the characterisation of systems or in monitoring reaction processes.
• Quantitative treatment of the experimental results following the models explained in the lectures.
• Explanation of the results on the basis of the theoretical models.
• Submitting a lab report to reflect the previous concepts is required.
• For evaluating this activity it is taken into account the lab work, the obtained results, and the prepared report.
5
Mixed objective/subjective test A1 A3 A4 A10 A14 A20 • Performance of written examination about theoretical and practical questions, regarding the contents treated in all parts of the course.
• It is required to surpass each of the activities to pass the course. The qualification of a surpassed activity will be kept in the remaining opportunities of the current academic year.
• Failure to pass the course, the final qualification shall correspond to the average of activities NON-exceeded.
• The student will obtain the qualification of No Presented when he do not take part in the laboratory practice program and, therefore, do not present to the mixed test.
80
Oral presentation A20 A27 B3 C6 C3 • Exposure and critical analysis of the results of laboratory practices.
• Quality of the information produced in the presentation and the skills shown in the communication.
• Ability to defend and contrast their results
10
 
Assessment comments

-Attendance to all laboratory practices and delivery of the corresponding report are required.
  -Attendance to seminars is mandatory for both full-time and first-time students in the course.
  -The qualification of "Matricula" is preferably granted at the first opportunity.   -Second Opportunity: repetition of the exam upon contents of seminars, lab practical and theory clases.


Sources of information
Basic P. W. Atkins, J. de Paula (2008). Química Física, 8ª Ed. . Panamericana
Laidler K. J. (1994). Chemical Kinetics . Harper and Row, New York.
Espenson J. H. (1995). Chemical kinetics and reaction mechanisms 2ª ed.. McGraw-Hill, New York.
Bockris, J.O.M., Reddy, A K.N. (1998). Modern Electrochemistry 1. Ionics. 2nd ed.. Plenum Press, New York

Complementary LEVINE I. N. (2004). Fisicoquímica 5ª ed.. McGraw-Hill, Madrid
R. A. Jackson (2004). Mechanism in Organic Reactions.. Royal Society of Chemistry (RSC)
P. L. Brezonik (1994). Chemical Kinetics and Process Dynamic in Aquatic Systems.. Lewis Publishers
P. Sanz Pedredo (1992). Físicoquímica para Farmacia y Biología.. Masson-Salvat Medicina
S. R. Logan (2000). Fundamentos de Cinética Química. Addison Wesley
BOCKRIS, J.O.M., REDDY, A.K.N., GAMBOA-ADELCO, M.E. (2000). Modern Electrochemistry 2A. Fundamentals of Electrodics.. Kluwer Academic/Plenum Press: New York
BERRY R. S., RICE S. A., ROSS J. (2000). Physical Chemistry. 2ª ed.. Oxford University Press, New York
KORITA, J, DVORAK, J., KAVAN, L. (1987). Principles of Electrochemistry. 2nd ed.. Wiley, Chichester
J. BERTRAN-RUSCA, J. NUÑEZ-DELGADO Eds , (2002). Química Física, vol. II. Ariel Ciencia


Recommendations
Subjects that it is recommended to have taken before
General Chemistry 1/610G01007
General Chemistry 2/610G01008
General Chemistry 3/610G01009
Chemistry Laboratory 1/610G01010
Physical Chemistry 1/610G01016
Physical Chemistry 2/610G01017
Physical Chemistry 3/610G01018
Experimental Physical Chemistry/610G01019

Subjects that are recommended to be taken simultaneously

Subjects that continue the syllabus

Other comments
They are necessary the knowledges of Chemistry and Physical Chemistry materias -To know draft,synthesize and correctly present a work. -To dominate the graphic representation, linear regression with basic knowledges of statistics. -To use at basic level tools of computing, such as Excel, Word, Power Point. -It recommends to know English of intermediate level (reading).


(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.