4.5 Article

Simulating Van der Waals interactions in water/hydrocarbon-based complex fluids

期刊

JOURNAL OF PHYSICAL CHEMISTRY B
卷 112, 期 6, 页码 1761-1764

出版社

AMER CHEMICAL SOC
DOI: 10.1021/jp077401m

关键词

-

向作者/读者索取更多资源

In systems composed of water and hydrocarbons, Van der Waals interactions are dominated by the nonretarded, classical (Keesom) part of the Lifshitz interaction; the interaction is screened by salt and extends over mesoscopic distances of the order of the size of the (micellar) constituents of complex fluids. We show that these interactions are included intrinsically in a recently introduced local Monte Carlo algorithm for simulating electrostatic interactions between charges in the presence of nonhomogeneous dielectric media.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.5
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Chemistry, Physical

Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films

I. Tanis, H. Meyer, T. Salez, E. Raphael, A. C. Maggs, J. Baschnagel

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Physics, Multidisciplinary

A fluctuation-corrected functional of convex Poisson-Boltzmann theory

R. Blossey, A. C. Maggs

JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL (2018)

Article Chemistry, Physical

All-atom computations with irreversible Markov chains

Michael F. Faulkner, Liang Qin, A. C. Maggs, Werner Krauth

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Conformational statistics of randomly branching double-folded ring polymers

Angelo Rosa, Ralf Everaers

EUROPEAN PHYSICAL JOURNAL E (2019)

Article Computer Science, Interdisciplinary Applications

JELLYFYSH-Version1.0-a Python application for all-atom event-chain Monte Carlo

Philipp Hoellmer, Liang Qin, Michael F. Faulkner, A. C. Maggs, Werner Krauth

COMPUTER PHYSICS COMMUNICATIONS (2020)

Article Polymer Science

Kremer-Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale

Ralf Everaers, Hossein Ali Karimi-Varzaneh, Frank Fleck, Nils Hojdis, Carsten Svaneborg

MACROMOLECULES (2020)

Article Chemistry, Physical

Single-molecule stretching experiments of flexible (wormlike) chain molecules in different ensembles: Theory and a potential application of finite chain length effects to nick-counting in DNA

Ralf Everaers, Nils B. Becker, Angelo Rosa

Summary: The study proposes a formalism for deriving mechanical properties of flexible chain molecules, revealing force-elongation and elongation-force relations by analyzing the radial distribution function, providing insights into factors influencing asymptotic behavior and finite chain length corrections. The results show that the proposed method offers high-quality analytical and numerical corrections, suitable for studying the wormlike chain end-to-end distance.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Computer Science, Interdisciplinary Applications

Multithreaded event-chain Monte Carlo with local times

Botao Li, Synge Todo, A. C. Maggs, Werner Krauth

Summary: The study introduces a multithreaded event-chain Monte Carlo algorithm for hard spheres, achieving significant speed-up in computations. Rigorous proof on small test suites shows that the horizon-violation probability is small within a fixed simulation time. The research provides open-source codes in C++ and Python for reproducing all results.

COMPUTER PHYSICS COMMUNICATIONS (2021)

Article Physics, Fluids & Plasmas

Monte Carlo simulation of a lattice model for the dynamics of randomly branching double-folded ring polymers

Elham Ghobadpour, Max Kolb, Mohammad Reza Ejtehadi, Ralf Everaers

Summary: The study investigates the structure and dynamics of tightly double-folded ring polymers using an elastic lattice model, with results in agreement with theoretical predictions. It was observed that rings in the melt state adopt compact configurations and exhibit territorial behavior, with emergent dynamics consistent with recent scaling theory.

PHYSICAL REVIEW E (2021)

Article Chemistry, Physical

Local loop opening in untangled ring polymer melts: a detailed Feynman test of models for the large scale structure

Raoul D. Schram, Angelo Rosa, Ralf Everaers

SOFT MATTER (2019)

Article Physics, Applied

Laplace pressure based disjoining pressure isotherm in non symmetric conditions

Axel Huerre, Marie-Pierre Valignat, A. C. Maggs, Olivier Theodoly, Marie-Caroline Jullien

APPLIED PHYSICS LETTERS (2017)

Article Physics, Fluids & Plasmas

Physics behind the mechanical nucleosome positioning code

Martijn Zuiddam, Ralf Everaers, Helmut Schiessel

PHYSICAL REVIEW E (2017)

Article Physics, Fluids & Plasmas

Structural interactions in ionic liquids linked to higher-order Poisson-Boltzmann equations

R. Blossey, A. C. Maggs, R. Podgornik

PHYSICAL REVIEW E (2017)

Article Physics, Fluids & Plasmas

Beyond Flory theory: Distribution functions for interacting lattice trees

Angelo Rosa, Ralf Everaers

PHYSICAL REVIEW E (2017)

暂无数据