Integral equation theory of the structure and thermodynamics of polymer blends
- Sandia National Laboratories, Albuquerque, New Mexico 87185 (US)
Our recently developed RISM integral equation theory of the structure and thermodynamics of homopolymer melts is generalized to polymer mixtures. The mean spherical approximation (MSA) closure to the generalized Ornstein--Zernike equations is employed, in conjunction with the neglect of explicit chain end effects and the assumption of ideality of intramolecular structure. The theory is developed in detail for binary blends, and the random phase approximation (RPA) form for concentration fluctuation scattering is rigorously obtained by enforcing incompressibility. A microscopic, wave vector-dependent expression for the effective chi parameter measured in small angle neutron scattering (SANS) experiments is derived in terms of the species-dependent direct correlation functions of the blend. The effective chi parameter is found to depend, in
- DOE Contract Number:
- AC04-76DP00789
- OSTI ID:
- 5490246
- Journal Information:
- Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 91:8; ISSN JCPSA; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360603* -- Materials-- Properties
COHERENT SCATTERING
CORRELATION FUNCTIONS
DIFFRACTION
DISPERSIONS
EQUATIONS
FLUIDS
FUNCTIONS
INTEGRAL EQUATIONS
LIQUIDS
MIXTURES
NEUTRON DIFFRACTION
PHYSICAL PROPERTIES
POLYMERS
SCATTERING
SMALL ANGLE SCATTERING
SOLUTIONS
THERMODYNAMIC PROPERTIES