Introduction to intermolecular and surface forces. Electrostatic potential energy. Keesom, Debye, and London forces. Manifestations in surface and interparticle forces. Introduction to organic chemistry nomenclature.
History of intermolecular and surface forces. Van der Waals equation of state. Derivation of a and b parameters. Derivation of the self-energy. Lennard-Jones potential.
Effects of solvent on intermolecular forces. Estimation of self-energy and molar cohesive energy from intermolecular pair potential at contact. Calculation of molecular radius from solubility. Crude derivation of Trouton's rule.
Coulomb's law applied to ions and dipoles. Born energy of an ion. Self-energy of a dipole. Fixed dipole interactions with ions and other dipoles. Results of angle-averaged interaction potential (Keesom interaction).
Interactions involving the polarization of molecules. Dipolar and electronic polarizability. Dipole-induced dipole forces (Debye forces).
London dispersion forces and electronic polarizability.
Wrap up of polarization with discussion of dielectric constant. Steric repulsive effects, packing, liquid structure. Hydrogen bonding, the properties of water, and the hydrophobic effect.
Introduction to forces between surfaces and nanoparticles. Surface energy, surface tension, contact angle, spreading, beading.
Van der Waals forces between molecules and surfaces, particles and surfaces, and particles and particles. Derivation of the Derjaguin approximation.
Hamaker constant between objects, van der Waals adhesive pressure, competition between van der Waals forces and other force laws.
Origin of the electric double layer (EDL) force. Addition of electric double layer forces and van der Waals forces (DLVO forces). Conceptual underpinnings of the entropic repulsion. Effect of electrolyte concentration on the Debye length.
Oscillatory Solvation Forces (OSFs).
Polymers and nomenclature crash course. Introduction to polymer-mediated steric forces between nanoparticles and surfaces. Mushroom regime, brush regime, radius of gyration, Flory radius.
Friction and lubrication forces and molecular basis. Stick-slip friction, viscosity. Kinematics.
Thermodynamic principles of self-assembly. 1D, 2D, and 3D self-assembled structures of amphiphiles. Critical micelle concentration.
My senior PhD student Sam Root gives an overview of molecular modeling with several examples in intermolecular and surface forces.