Předměty

Chemical Principles - 1st year, winter term

12 weeks, weekly: 2h lecture, 1h Q&A seminar, 2h workshop

Week 1: How to study chemistry

Studying chemistry, course overview; Chemistry within science, time-line; Units, symbols - general rules;

Scientific method

Week 2: Mater and energy

Definition and history; Standard model - elementary particles (very light introduction); Bosons and fermions;

Energy-matter equivalence; Structure of atom nucleus; Radioactivity

Week 3: Quantum world - light introduction

Discovery of electron; Black body radiation; Photoelectric effect; Rutherford’s experiment

Dual character of light, de Broglie relationship; Uncertainty principle; Schrödinger equation; Bohr model;

Axiomatic character of quantum mechanics; Particle in the box; Hydrogen-like atoms - orbitals; Hydrogen -

absorption and emission spectra

Many-electron atoms; Electron spin; Orbital energies, Building-up principles; Periodic table

Week 4: Chemical bond

Electron densities; Electron octet; Bonding types; QM interpretation of chemical bond; Born-Oppenheimer

approximation; Potential energy Surface & dissociation curve; H2+ molecule; Orbital overlap; From atomic to

molecular orbitals; Interaction diagrams; H2 molecule

Covalent, ionic and polar bonds; Hybridization; Weak intermolecular interactions; Ar2 “molecule”; Electronic

structure of solids; Low-dimensional materials

Shape of molecules; Light VSEPR

Week 5: Spectroscopy

Electric and magnetic properties of matter; Interaction of light with matter; Refraction; Optical activity; Diffraction -

scattering - absorption - emission

Rotational spectra; Vibrational spectra; Raman spectra

Nuclear magnetic resonance

Week 6: Gas vs. Condense Phases

Ideal gas - gas laws; Atomistic interpretation of gas properties; Diffusion and Effusion, Graham’s law; Light

kinetic theory of gases; Maxwell-Boltzmann distribution of velocities; Mean free path; Energy distribution; Real

gases, compressibility, vdW equation; Condensation

Structure of liquids; Radial distribution function; Surface tension

Amorphous vs. crystalline solids; Crystal types; Isomorphism and Polymorphism; Phase diagram; Solid

Surface;

Week 7: Reaction kinetics

PES; Reaction path and reaction profile; Transition state and activation energy; Elementary reaction; Reaction

mechanism; Classification of chemical reactions; Reaction kinetics; Reaction rate; Guldberg-Waag law;

Reactions of 1st, 1nd and 0th order; Models of chemical reactions; Catalysis

Week 8: Thermodynamics I

Energy, work and heat; Thermodynamic systems; Intensive/extensive properties; Thermodynamic equilibrium;

Temperature; Light statistical TD; Boltzmann energy distribution; Pressure-volume work; (I)reversible

processes; 1st law of TD; Joule’s experiment; Heat capacity; Enthalpy, Thermochemistry, Hess’ law; Standard

heats of combustion/formation;

Week 9: Thermodynamics II

Adiabatic expansion of ideal gas; Poisson equation; 2nd law of TD; Entropy; Carnot’s cycle; Free energies;

Absolute zero;

Week 10: Equilibrium I

Chemical potential; Fugacity and activity; Gibbs phase law; Phase equilibrium and phase diagram; Gas-liquid

coexistence; Henry’s and Rault’s laws; Isothermic and isobaric phase diagrams; Distillation;

Week 11: Equilibrium II

Liquid-solid coexistence; Solubility; Colligative properties; Equilibrium at the phase boundaries; Physisorption,

chemisorption, adsorption isotherm

Chemical equilibrium; van’t Hoff reaction isotherm; Equilibrium constant Le Chatelier’s principle

Week 12: Solutions

Electrolytes; Acids and bases; pH; Hydrolysis; Salts; Buffering; Solvation and hydration shells; Ideal and real

electrolytes; Theory of strong electrolytes

Poslední úprava: Ušelová Kateřina, RNDr., Ph.D. (31.01.2022)