Simple models for complex nonequilibrium fluids

M Kröger - Physics reports, 2004 - Elsevier
This review is concerned with the nonequilibrium dynamics and structure of complex fluids
based on simple micro-and mesoscopic physical models which are not rigorously solvable …

Pruned-enriched Rosenbluth method: Simulations of polymers of chain length up to 1 000 000

P Grassberger - Physical Review E, 1997 - APS
We present an algorithm for simulating flexible chain polymers. It combines the Rosenbluth-
Rosenbluth method with recursive enrichment. Although it can be applied also in more …

Equilibrium thermodynamics of homopolymers and clusters: molecular dynamics and Monte Carlo simulations of systems with square-well interactions

Y Zhou, M Karplus, JM Wichert, CK Hall - The Journal of chemical …, 1997 - pubs.aip.org
The thermodynamics of homopolymers and clusters with square-well interactions of up to 64
particles are studied with constant-temperature discontinuous molecular dynamics (DMD) …

[BUCH][B] Models for polymeric and anisotropic liquids

M Kröger - 2005 - books.google.com
Models should be as simple as possible, but no simpler. For the physics of polymeric liquids,
whose relevant lengths and time scales are out of reach for first principles calculations, this …

Relationship between polymer chain conformation and phase boundaries in a supercritical fluid

G Luna-Bárcenas, JC Meredith, IC Sanchez… - The journal of …, 1997 - pubs.aip.org
We investigate the solvent density driven changes in polymer conformation and phase
behavior that occur in a supercritical fluid, with a particular emphasis on conditions near the …

Long-range correlations in a polymer chain due to its connectivity

D Shirvanyants, S Panyukov, Q Liao… - Macromolecules, 2008 - ACS Publications
The analysis of intrachain monomeric interactions reveals a new effect in the description of
polymer conformations in dilute θ-solutions, semidilute solutions, and melts. The chain …

Variance reduced Brownian simulation of a bead-spring chain under steady shear flow considering hydrodynamic interaction effects

M Kröger, A Alba-Pérez, M Laso… - The Journal of Chemical …, 2000 - pubs.aip.org
To obtain numerical estimates for the properties of a model for polymers in dilute theta
solutions in its long-chain limit we follow a stochastic approach to polymer kinetic theory …

Θ-point behavior of diluted polymer solutions: Can one observe the universal logarithmic corrections predicted by field theory?

J Hager, L Schäfer - Physical Review E, 1999 - APS
In recent large-scale Monte Carlo simulations of various models of Θ-point polymers in three
dimensions Grassberger and Hegger found logarithmic corrections to mean field theory with …

Simulation study of the coil-globule transition of a polymer in solvent

JM Polson, NE Moore - The Journal of chemical physics, 2005 - pubs.aip.org
Molecular dynamics simulations are used to study the coil-globule transition for a system
composed of a bead-spring polymer immersed in an explicitly modeled solvent. Two …

First-order coil-globule transition driven by vibrational entropy

C Maffi, M Baiesi, L Casetti, F Piazza… - Nature …, 2012 - nature.com
By shifting the balance between conformational entropy and internal energy, polymers
modify their shape under external stimuli, such as changes in temperature. Prominent …