Fluids with highly directional attractive forces. IV. Equilibrium polymerization

Journal Article · Sat Feb 01 04:00:00 EST 1986 · J. Stat. Phys.; (United States)

DOI:https://doi.org/10.1007/BF01127722· OSTI ID:6913118

Wertheim, M S

The author investigates approximation methods for systems of molecules interacting by core repulsion and highly directional attraction due to several attraction sites. The force model chosen imitates a chemical bond by providing for bond saturation when binding occurs. The dense fluid is an equilibrium mixture of s-mers with mutual repulsion. The author uses a previously derived reformulation of statistical thermodynamics in which the particle species are monomeric units with a specified set of attraction sites bonded. Thermodynamic perturbation theory (TPT) and integral equations of two types are derived. The use of TPT is illustrated by explicit calculation for a molecular model with two attraction sites capable of forming chain and ring polymers. Successes and defects of TPT are discussed. The integral equations for pair correlations between particles of specified bonding include calculation of self-consistent densities of species. Methods of calculating thermodynamic properties from the solutions of integral equations are given.

• Research Organization: Rutgers Univ., New Brunswick, NJ
• OSTI ID: 6913118
• Journal Information: J. Stat. Phys.; (United States), Journal Name: J. Stat. Phys.; (United States) Vol. 42:3; ISSN JSTPB
• Country of Publication: United States
• Language: English

Related Subjects

640400* -- Fluid Physics
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BINDING ENERGY
CHEMICAL BONDS
CHEMICAL REACTIONS
CLASSICAL MECHANICS
DENSITY
ENERGY
EQUATIONS
EQUILIBRIUM
FLUIDS
FREE ENERGY
INTEGRAL EQUATIONS
INTERMOLECULAR FORCES
IRREDUCIBLE REPRESENTATIONS
MATHEMATICAL MODELS
MECHANICS
MOLECULAR MODELS
PERTURBATION THEORY
PHYSICAL PROPERTIES
POLYMERIZATION
POLYMERS
STATISTICAL MECHANICS
THERMODYNAMIC PROPERTIES
THERMODYNAMICS