Physical Chemistry

Code:

Q2009

Acronym:

Q2009

Level:

100

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2022/2023 - 2S

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

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
L:B	0	Official Study Plan	3	-	6	56	162
L:CC	1	study plan from 2021/22	2	-	6	56	162
			3
L:F	4	Official Study Plan	2	-	6	56	162
			3
L:G	0	study plan from 2017/18	2	-	6	56	162
			3
L:M	0	Official Study Plan	2	-	6	56	162
			3
L:Q	49	study plan from 2016/17	2	-	6	56	162

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 during the past academic year in the courses Química I and Química II. The actual syllabus adopted for the Degree in Chemistry has only a compulsory semester of Physical Chemistry, which is clearly very short and compels 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), Chemical Kinetics (due to its importance on the understanding  the chemical processes mechanisms) and an Introduction to the Chemistry of Surfaces.

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.
Surface processes.

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.

8 - PHYSICAL CHEMISTRY OF SURFACES

Surface tension. Pressure difference through the surface of a liquid drop: Laplace equation
Capillary rising up and capillary depression: establishment of the relevant equations.
Vapour pressure inside small liquid bubbles. Influence of the temperature on the surface tension.
Thermodynamic of Adsorption: fundaments. Adsorption on solid surfaces. Physical adsorption and chemical adsorption: mechanisms, characteristics and properties. Gibbs and Langmuir adsorption isothermals.

Mandatory literature

Atkins Peter; Atkins. physical chemistry. ISBN: 0-19-870072-5
I. N. Levine; Physical Chemistry, McGraw Hill, , 2002

Complementary Bibliography

Ira N. Levine; Physical Chemistry,, 6th ed, McGraw-Hill Companies, Inc., , 2009

Teaching methods and learning activities

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

keywords

Physical sciences > Chemistry > Physical chemistry

Evaluation Type

Distributed evaluation with final exam

Assessment Components

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

Amount of time allocated to each course unit

designation	Time (hours)
Estudo autónomo	106,00
Frequência das aulas	56,00
Total:	162,00

Eligibility for exams

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

Calculation formula of final grade

Frequency: The attendance of TP classes is mandatory.
The maximum number of absences from TP classes is 1/4 of the foreseen TP classes.

A- Continuous assessment

 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).

       Final mark  NF = 0.50 x T1 + 0.50 x T2
cumulatively, T1 ≥ 8 (in 20) ^ T2 ≥ 8 (in 20) ^ NF ≥ 10 (in 20)

 

B- Final examination

Exam repetition: for those who did not obtain approval or for improvement of NF.