Physical Chemistry

Code:

Q2009

Acronym:

Q2009

Level:

100

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2024/2025 - 2S

Active?	Yes
Web Page:	https://sigarra.up.pt/fcup/pt/ucurr_geral.ficha_uc_view?pv_ocorrencia_id=547457
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	1	Official Study Plan	3	-	6	54	162
L:CC	0	study plan from 2021/22	2	-	6	54	162
			3
L:F	1	Official Study Plan	2	-	6	54	162
			3
L:G	0	study plan from 2017/18	2	-	6	54	162
			3
L:M	2	Official Study Plan	2	-	6	54	162
			3
L:Q	32	study plan from 2016/17	2	-	6	54	162

Teaching language

Portuguese

Objectives

This course aims to introduce some fundamental topics in Physical Chemistry, following the learning that the students should have acquired in the Chemistry I and Chemistry II curricular units, in the previous academic year.

The syllabus 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 in the area of equilibrium will be taught, such as chemical thermodynamics,  equilibrium in physical and chemical processes; equations of state and the 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 proces
ses 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
The physical meaning of chemical potential: pure substance; component of a mixture.
Chemical potential and phase equilibrium. Phase diagrams. Equilibrium criteria. Temperature and pressure dependences. The Clausius-Clapeyron Equation. 

5. CHEMICAL EQUILIBRIUM
Diagrams of the dependence of the Gibbs energy versus the reaction coordinate. The 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 third 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 enzymatic catalysis.

8. PHYSICAL CHEMISTRY OF SURFACES
Surface tension. Pressure difference through the surface of a liquid drop: Laplace equation. Capillary rising and capillary depression: establishment of the relevant equations. Vapour pressure inside tiny liquid bubbles. Influence of the temperature on the surface tension. Thermodynamics of adsorption. 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
Paul M. S. Monk; Physical Chemistry: Understanding our Chemical World, Wiley, 2004. ISBN: 978-0-471-49181-1

Teaching methods and learning activities

In the lectures, the contents of the curricular unit are presented. The active participation of the students is encouraged. Digital educational resources will be used to understand the studied topics better.

In practical classes, by solving some exercises, students will be challenged to discuss the topics covered in the theoretical classes.

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	108,00
Frequência das aulas	54,00
Total:	162,00

Eligibility for exams

The maximum number of absences from T & TP classes:
Anyone who misses more than 1/4 of the scheduled theoretical-practical classes will lose their attendance. (MAXIMUM 3 absences)
Anyone who misses more than 1/3 of the Theoretical classes will lose attendance (MAXIMUM 12 absences)

Calculation formula of final grade

The final grade awarded is calculated based on the final exam grade and the TP class evaluation.

Final Grade: 0.7xN_ex + 0.3xN_tp

N_ex=Final Exam Grade (0-20)
N_tp = Continuous Assessment Score (0-20)

N_ex > 8.0/20 mandatory

Continuous assessment (N_tp)  will be calculated as the grade resulting from the assessment
A| individual presentation of (1+ 5 Slides) on a QF topic + Oral discussion of the discussion topic.