Sylabus
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
Anotace
The course Chemical Principles provides an initial overview of chemical disciplines (such as thermodynamics, spectroscopy, kinetics, chemical structure and bonding) and their relationships. In-depth understanding of individual disciplines is left for more specialized lectures in the later stage of the curriculum. The position of chemistry within the broader range of natural sciences is defined, focusing on the overlaps with physics and biology. Chemical Principles set the stage for follow-up courses on chemical transformations and characterization.
Due attention is devoted to the connection between microscopic and macroscopic understanding of matter.
The course is built from topical blocks (see Syllabus) each of them consisting of lecture (2h), Q&A session (1h) and workshop (2h).