Course catalogue
Create your own master’s programme by choosing between the different specializations of our partner universities.
Master SERP+ Programme - cohort 2020-2025
Selected in silico and in vitro methods in thermodynamics and soft matter (6 ECTS)
All courses during this semester
All courses during this semester
- Transferable skills: Polish course, Summer School in Entrepreneurship (6 ECTS)
- The molecules of life: from structure to chemical function (3 ECTS)
- Selected in silico and in vitro methods in thermodynamics and soft matter (6 ECTS)
- Organic chemistry (3 ECTS)
- Introduction to solid state (6 ECTS)
- Dynamics of photochemical reactions in chemistry, biology and medicine (6 ECTS)
- Transferable skills: Portuguese course, Summer School in Entrepreneurship (6 ECTS)
- Solid State Physics (6 ECTS)
- Molecular Energetics (3 ECTS)
- Laboratory of Materials and Surface Analysis (6 ECTS)
- Interfacial Electrochemistry (3 ECTS)
- Interfaces, Colloids and Self-Assembly (6 ECTS)
- Transferable skills: Summer School in Entrepreneurship (3 ECTS)
- Organic Photochemistry (3 ECTS)
- Italian Courses (3 ECTS)
- Introduction to Solid State (6 ECTS)
- Inorganic Functional Materials (3 ECTS)
- Electrochemical systems for energy conversion and storage (6 ECTS)
- Chemistry and Technology of Catalysis and Laboratory (6 ECTS)
All courses during this semester
- Transferable skills: Scientific writing, French courses - 5ECTS
- Nanosciences (6 ECTS)
- Nanoparticles and Advanced radiation therapies (6 ECTS)
- Fundamentals in data science and machine learning (3 ECTS)
- Femtochemistry (3 ECTS)
- Chemistry for renewable energy: from advanced research to industrial applications (6 ECTS)
- Transferable skills: Scientific writing, Polish courses (6 ECTS)
- Lanthanide luminescence: Application in chemistry and biology (6 ECTS)
- Introduction to Data Sciences (3 ECTS)
- Environmental photochemistry (3 ECTS)
- Computational and quantum photochemistry (6 ECTS)
- Applied photochemistry and luminescence spectroscopy (6 ECTS)
- Scientific Writing and Career Objectives (3 ECTS)
- Portuguese course (3 ECTS)
- Nanotechnologies, Micro and Nano-fabrication (6 ECTS)
- Materials Properties and Applications (6 ECTS)
- Electrochemical Technology (6 ECTS)
- Data Science Basics (3 ECTS)
- Bionanotechnology (3 ECTS)
- Transferable skills: Scientific Writing Industrial Seminars (3 ECTS)
- Surface Science and Nanostructuring at Surfaces (6 ECTS)
- Polymers for electronics and energy harvesting (6 ECTS)
- Laboratory on device building (3 ECTS)
- Italian Courses (3 ECTS)
- Data Science and Applications to Chemistry (3 ECTS)
- Composite materials for biomedical applications (6 ECTS)
Content
Thermodynamics (It is needed for compensation of the students’ knowledge levels in physical chemistry). Real gases, van der Waals equation, virial equation of state, compression factor, Boyle temperature. Internal energy, expansion work and the reversible expansion, enthalpy, heat capacity at constant volume and at constant pressure, state function, exact differential, entropy, Clausius inequality, the Helmholtz and Gibbs energies, signposts of spontaneous changes, the criterion of equilibrium, partial molar quantities, the chemical potential, activity and the activity coefficient, the activity coefficient of an electrolyte, Debye-Hückel limiting law, extended Debye-Hückel law, electric double layer.
Statistical thermodynamics
Intermolecular interactions: potential and forces, virial function, Boltzmann distribution, averages, partition function, configuration integral, fluctuation in energy, radial distribution function, ensembles (canonical, grand canonical, isobaric-isothermal).
Computer simulation techniques
Monte Carlo in different statistical ensembles (creation of a new configuration, periodic boundary condition, minimum image convention), Molecular dynamics, Gibbs ensemble, the Widom’s technique.
Computer classes
- Compression factor
- Internal pressure
- Heat capacity at a constant volume
- Mass density and isothermal compressibility
- Phase equilibrium
- Structure of fluids – radial distribution function
- The activity coefficient of an electrolyte
- Diffusion coefficient
- Mini-project: Ion adsorption at the electrode – electrolyte interface
Aims
After the course, students will be familiar with the Monte Carlo and Molecular Dynamics simulation techniques in different statistical ensembles. The Soft Matter part of the course aims to provide the physical chemistry background necessary for explanation of phenomena and processes taking place in the nanoscale
- in colloids, micellar systems, polymer solutions
- at interfaces, and the achievement of skills of the computer modelling and experimental studies of processes in nanoscales and at interfaces.
Recommended Books
- M. P. Allen, and T.J. Tildsley, Computer Simulation of Liquids, Clarendon Press, Oxford 1994
- D. Frenkel, and B. Smit, Understanding Molecular Simulations, Academic Press, San Diego, 1996
- P.W. Atkins, Physical Chemistry, Oxford University Press, Oxford 1998 or later
Teaching Staff
Prof. Stanisław Lamperski
Hours
Lecture: 30 h
Practical courses: 30 h
Final Porject : 5h