Accurate effective pair potentials for polymer solutions
By Peter G. Bolhuis, Ard A. Louis, J. Hansen, Evert Meijer. 2000
271 citations recorded by the source corpus.
Dilute or semidilute solutions of nonintersecting self-avoiding walk (SAW) polymer chains are mapped onto a fluid of “soft” particles interacting via an effective pair potential between their centers of mass. This mapping is achieved by inverting the pair distribution function of the centers of mass of the original polymer chains, using integral equation techniques from the theory of simple fluids. The resulting effective pair potential is finite at all distances, has a range of the order of the radius of gyration, and turns out to be only moderately concentration-dependent. The dependence of the effective potential on polymer length is analyzed in an effort to extract the scaling limit. The effective potential is used to derive the osmotic equation of state, which is compared to simulation data for the full SAW segment model, and to the predictions of renormalization group calculations. A similar inversion procedure is used to derive an effective wall–polymer potential from the center of mass density pro...
Subfields: Biomedical Engineering, Fluid Flow and Transfer Processes, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/28a884187e7f8ee0cd4a2add7ff1801a791e4afb
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In Biomedical Engineering
In Fluid Flow and Transfer Processes
In Materials Chemistry
Citations in the corpus
- Biological and synthetic membranes: What can be learned from a coarse-grained description? (2006, methodology): “These techniques have originally been developed for polymer systems, and they have been extensively employed to describe quantitatively the structure and dynamics of polymer melts and solutions [8,10,11,211–215].”
- EFFECTIVE INTERACTIONS IN SOFT CONDENSED MATTER PHYSICS (2001, methodology): “For the case of two #at walls, the AOmodel predicts a depletion interaction that has the form of an attractive linear ramp up to wall separations d"2R and vanishes thereafter, whereas the AO approximation yields an interaction that decays smoothly to zero [152,190].”
- Statistical Mechanics where Newton's Third Law is Broken (2014, background): “This law, which states that the pair interactions between particles are reciprocal, holds not only for the fundamental microscopic forces but also for equilibrium effective forces on classical particles, obtained by integrating out microscopic degrees of freedom [1–5].”