Physical Chemistry

Code:

Q2009

Acronym:

Q2009

Level:

100

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2023/2024 - 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	2	Official Study Plan	3	-	6	54	162
L:CC	3	study plan from 2021/22	2	-	6	54	162
			3
L:F	5	Official Study Plan	2	-	6	54	162
			3
L:G	0	study plan from 2017/18	2	-	6	54	162
			3
L:M	1	Official Study Plan	2	-	6	54	162
			3
L:Q	43	study plan from 2016/17	2	-	6	54	162

Teaching language

Portuguese

Objectives

The fundamental objective of this course is to introduce some fundamental topics in Physical Chemistry, in continuation of the teachings that the student must have acquired in the Chemistry I and Chemistry II curricular units, in the previous academic year.

The curriculum adopted for the Degree in Chemistry contains a mandatory semester of Physical Chemistry, where some fundamental and structuring topics of this branch of Chemistry are taught. Topics will be organized according to the classical division of physical chemistry

1. Equilibrium
2. Structure
3. Change

Topics in the area of balance will be taught, such as chemical thermodynamics,  equilibrium in physical and chemical processes; equations of state and notion of thermodynamic potential.

Fundamental considerations about the structure of matter and atomic and molecular interactions. Equilibrium states, fundamental notions of out  of equilibrium thermodynamics, surfaces and interfaces.

In the theme of change/alteration of the system, some transport properties and chemical kinetics will be addressed (due to their importance in understanding the mechanisms of chemical processes).

Learning outcomes and competences

Fundamental training in the area of physical chemistry.
Basic concepts and self-learning capabilities in the following areas:

- Properties of gases in equilibrium;
- Laws of Thermodynamics;
- Physical transformations of pure substances;
- Simple Mixtures;
- Phase diagrams;
- Chemical balance;
- Atomic and molecular interactions
- transport properties;
- statistical thermodynamics;
- Materials and structure of matter
- Chemical kinetics.
- Surface processes and interfaces

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	65,00
Teste	15,00
Trabalho prático ou de projeto	20,00
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 T classes is 1/3 of the foreseen TP classes.

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

Calculation formula of final grade

Obtaining frequency

Attendance of Theoretical (T) and Theoretical Practical (TP) classes is mandatory.

The student loses attendance if he or she misses more than 1/3 of T classes or 1/4 of TP classes.


Assessment and calculation of the final classification

A- Distributed evaluation involves



Completion of a monograph (5 Slides) during the academic semester, with individualized themes.
Note: N_SL (20%).

Conducting micro tests Q1, Q2 and Q3, during the academic semester, resulting in:
N_Q1 (5%), N_Q2 (5%), N_Q3 (5%),


B- Exam

           N_Ex - Exam Score (65%)



UC approval and final grade:

           N_Ex_ Exam Score >= 9 out of 20


Final Assessment (NF)

NF = 0.65xN_Ex + 0.20x N_SL + 0.05x N_Q1 + 0.05x N_Q2 + 0.05x N_Q3

The contribution to the final grade of N_Ex and the grades obtained in the micro tests will be increased.
(if the grade of any of the micro tests N_Q1 (5%), N_Q2 (5%), N_Q3 (5%), is lower than the exam grade, N_Ex, this will be replaced by the exam grade, N_Ex in the calculation formula of the final grade).


.........

Examination at the time of appeal and special account
assessment grade distributed to 2023-24 students:


To improve the grades of students from previous years

NF = N_Expetition: for those who did not obtain approval or for improvement of NF.