Physical Chemistry

Code:

Q263

Acronym:

Q263

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2015/2016 - 1S

Active?	Yes
Responsible unit:	Department of Chemistry and Biochemistry
Course/CS Responsible:	Bachelor in Geology

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
L:AST	1	Plano de Estudos a partir de 2008	3	-	5	56	135
L:B	3	Plano de estudos a partir de 2008	3	-	5	56	135
L:F	1	Plano de estudos a partir de 2008	3	-	5	56	135
L:G	0	P.E - estudantes com 1ª matricula anterior a 09/10	3	-	5	56	135
		P.E - estudantes com 1ª matricula em 09/10	3	-	5	56	135
L:M	0	Plano de estudos a partir de 2009	3	-	5	56	135

Teaching language

Portuguese

Objectives

The aim of this course is to teach some fundamental topics of Physical Chemistry, following the basic knowledge that the student should have acquired in the course Fundamentos de Química. The actual syllabus adopted for one semester of Physical Chemistry compeled the choice of only some fundamental topics of this branch of Chemistry (even so with a relatively superficial treatment), with the loss of other fundamental topics for which there is no time to be considered. So, the following topics have been selected for the Physical Chemistry course: Chemical Thermodynamics (in view of its fundamental character and applicability on the study of many other topics) and Chemical Kinetics (due to its importance on the understanding of the chemical processes mechanisms).

Learning outcomes and competences

Fundamentals in physical chemistry. Basic concepts and ability to self-learning in the fields of:
- Equilibrium Properties of gases; Laws of Thermodynamics; Physical transformations of pure substances; Simple mixtures; Phase diagrams;
- Chemical Equilibrium;
- Chemical kinetics.

Working method

Presencial

Program

1 – INTRODUCTION

Thermodynamics: Nature and Applicability. Macroscopic variables: Independent variables and dependent variables. Condition to choose the system variables.

2 – THE ZEROTH LAW AND THE FIRST LAW OF THERMODYNAMICS: CONCEPTS

Empirical concept of Thermal State. Thermal permeable walls and thermal impermeable walls Statement of the Zeroth Law of Thermodynamics. Definition of the temperature concept. Definition of the International System unit of temperature: Kelvin. Scales of temperature. The temperature fixed points.

Statement of the First Law of Thermodynamics. Energy, heat and work. Internal energy. Internal energy changes. Expansion work. Enthalpy. Heat of reaction and thermal coefficients in the variables temperature, volume and composition: heat capacity at constant pressure and composition; heat capacity at constant volume and composition; heat of expansion at constant temperature and composition; heat of reaction at constant temperature and volume. Heat of reaction and thermal coefficients in the variables temperature, pressure and composition: heat capacity at constant pressure and composition; heat of compression at constant temperature and composition; heat of reaction at constant temperature and pressure. Relations between thermal coefficients. Clausius and Kirchhoff relations. Standard state. Standard enthalpy of formation. Thermochemistry and its Laws. Combustion and reaction-solution calorimetry. 

3 - THE SECOND LAW OF THERMODYNAMICS: PRINCIPLE OF THE CREATION OF ENTROPY

Equilibrium and Potential. Reversible and irreversible phenomena: reversibility conditions.
Statement of the Second Law of Thermodynamics. Thermodynamic potentials. Equilibrium conditions. Affinity of reaction. Affinity and Thermodynamic Potentials. Gibbs-Helmholtz equations. Gibbs-Duhem equation. The Maxwell relations. De Donder relations. Thermodynamic potentials and chemical potentials. 

4 – APPLICATIONS OF THE SECOND LAW OF THERMODYNAMICS

Physical significance of chemical potential: pure substance, component of a mixture.
Chemical potential and phases equilibrium. Phase diagrams. Equilibrium criteria. Temperature and pressure dependences. The Clausius-Clapeyron Equation. 

5 - CHEMICAL EQUILIBRIUM

Diagrams of the dependence o the Gibbs energy versus the reaction coordinate. Notion of equilibrium. Calculation of reaction Gibbs energy changes. Relation of the variation of the standard Gibbs energy with the equilibrium constant. Molecular interpretation of chemical equilibrium. Dependence of the chemical equilibrium with the pressure and temperature. Van't Hoff equation. Calculation of reaction enthalpies from the dependence of the equilibrium constants with the temperature.


6 – THE THIRD LAW OF THERMODYNAMICS AND THE ABSOLUTE ENTROPY

Statement and interpretation of the Law; absolute entropies and entropies change
The calculation of entropy changes.
Calculation of absolute entropies.

7 – CHEMICAL KINETICS

Revision of the basic concepts.
Experimental methods in chemical kinetics studies and treatment of data.
Determination of the rate constants.
Complex kinetic systems. Classification of Complex Kinetic Systems.
Reverse Reactions. Consecutive reactions.
The Steady-state approximation. Chain reactions: formulation of the approximation; working procedure. Catalysis. Industrial importance of the catalysers. Homogeneous, heterogeneous and enzimatic catalysis.

Mandatory literature

Atkins P. W.; Physical chemistry. ISBN: 0-19-855284-X

Teaching methods and learning activities

In the lectures the contents of the curricular unit are presented, encouraging the active participation of students. Digital educational resources will be used where appropriate to a better understanding of the topics studied. In the practical classes, students solve practical problems with the application of theoretical concepts.

keywords

Physical sciences > Chemistry > Physical chemistry

Evaluation Type

Evaluation with final exam

Assessment Components

designation	Weight (%)
Exame	100,00
Total:	100,00

Eligibility for exams

The maximum number of absences from TP classes is 1/4 of the foreseen TP classes.

Calculation formula of final grade

A- Continuous assessment

i) There will be two tests (T1, T2) during the semester that will take place within the classes, which will give the student the right of excuse of the final examination if the average of the marks of the tests is positive (at least 10 in the score of 0 to 20).

 ii) Assessment of the participation of the student in the lectures and problem-solving classes (attendance and participation during the classes, PIA)

Final mark of the continuous assessment: 0,45 T1 + 0,45 T2 + 0,10 PIA

or

B- Final examination

Final marks higher than 18 (scale of 0 to 20) may require a complementary oral test