Microscopic equations of state of polyethylene : Hard-chain contribution to the pressure

The athermal contribution to the pressure of polyethylene is investigated via integral equations and mean field generalized Flory-type theories. The molecules are modeled as fused-hard-sphere chains with fixed bond lengths and bond angles; torsional rotations are treated via the rotational isomeric...

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Veröffentlicht in:	The Journal of chemical physics 1993-01, Vol.98 (2), p.1635-1646
Hauptverfasser:	YETHIRAJ, A, CURRO, J. G, SCHWEIZER, K. S, MCCOY, J. D
Format:	Artikel
Sprache:	eng
Schlagworte:	360606 - Other Materials- Physical Properties- (1992-) ALKANES Applied sciences BOND ANGLE BOND LENGTHS CHEMICAL REACTIONS DIMENSIONS ENERGY ENERGY LEVELS EQUATIONS EQUATIONS OF STATE Exact sciences and technology EXCITED STATES FREE ENERGY HARD-SPHERE MODEL HYDROCARBONS INTEGRAL EQUATIONS LENGTH MATERIALS SCIENCE MEAN-FIELD THEORY ORGANIC COMPOUNDS ORGANIC POLYMERS PHYSICAL PROPERTIES Physicochemistry of polymers POLYETHYLENES POLYMERIZATION POLYMERS POLYOLEFINS PRESSURE DEPENDENCE Properties and characterization ROTATIONAL STATES Thermal and thermodynamic properties THERMODYNAMIC PROPERTIES TORSION
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