Relating monomer to centre-of-mass distribution functions in polymer solutions
arXiv:cond-mat/0110387 · doi:10.1209/epl/i2002-00605-7
Abstract
A relationship between the measurable monomer-monomer structure factor, and the centre-of-mass (CM) structure factor of dilute or semi-dilute polymer solutions is derived from Ornstein-Zernike relations within the ``polymer reference interaction site model'' (PRISM) formalism, by considering the CM of each polymer as an auxiliary site and neglecting direct correlations between the latter and the CM and monomers of neighbouring polymers. The predictions agree well with Monte Carlo data for self-avoiding walk polymers, and are considerably more accurate than the predictions of simple factorization approximations.
uses eps.cls, v2 is close to final published version
References in corpus (2)
Cited by in corpus (16)
- An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale
- Analytical soft-core potentials for macromolecular fluids and mixtures
- A First Principle Approach to Rescale the Dynamics of Simulated Coarse-Grained Macromolecular Liquids
- Thermodynamic consistency in variable-level coarse-graining of polymeric liquids
- Analytical Rescaling of Polymer Dynamics from Mesoscale Simulations
- Coarse-grained Description of Polymer Blends as Interacting Soft-Colloidal Particles
- Theoretical coarse-graining approach to bridge length scales in diblock copolymer liquids
- Effective Soft-Core Potentials and Mesoscopic Simulations of Binary Polymer Mixtures
- Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correlation Functions
- Polymer solutions: from hard monomers to soft polymers
- Multiscale Modeling of Binary Polymer Mixtures: Scale Bridging in the Athermal and Thermal Regime
- An integral equation approach to effective interactions between polymers in solution
- Structure and interaction of flexible dendrimers in concentrated solution
- Comparing different coarse-grained potentials for star polymers
- Swelling of asymmetric pom-pom polymers in dilute solutions
- Site-averaging in the integral equation theory of interaction site models of macromolecular fluids: An exact approach