Literature DB >> 14611420

Intrinsic profiles beyond the capillary wave theory: a Monte Carlo study.

E Chacón1, P Tarazona.   

Abstract

We develop and test an operational definition of the intrinsic surface for liquid-vapor interfaces. The application to the microscopic configurations along Monte Carlo computer simulations gives the statistical properties of the intrinsic surfaces and the intrinsic density profiles for simple fluid models. The results open a framework of quantitative description to close the gap between the mesoscopic capillary wave theory and the sharpest level of resolution for the intrinsic density distribution, relative to the first atomic layer in the liquid surface, as done in the interpretation of experimental x-ray reflectivity.

Year:  2003        PMID: 14611420     DOI: 10.1103/PhysRevLett.91.166103

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  6 in total

Review 1.  Computer Simulation of the Surface of Aqueous Ionic and Surfactant Solutions.

Authors:  Mária Lbadaoui-Darvas; Abdenacer Idrissi; Pál Jedlovszky
Journal:  J Phys Chem B       Date:  2021-12-14       Impact factor: 3.466

2.  Instantaneous liquid interfaces.

Authors:  Adam P Willard; David Chandler
Journal:  J Phys Chem B       Date:  2010-02-11       Impact factor: 2.991

3.  Calculation of the intrinsic solvation free energy profile of an ionic penetrant across a liquid-liquid interface with computer simulations.

Authors:  Mária Darvas; Miguel Jorge; M Natalia D S Cordeiro; Sofia S Kantorovich; Marcello Sega; Pál Jedlovszky
Journal:  J Phys Chem B       Date:  2013-12-04       Impact factor: 2.991

4.  The Intrinsic Fragility of the Liquid-Vapor Interface: A Stress Network Perspective.

Authors:  Muhammad Rizwanur Rahman; Li Shen; James P Ewen; Daniele Dini; E R Smith
Journal:  Langmuir       Date:  2022-04-06       Impact factor: 4.331

5.  A novel method for constructing continuous intrinsic surfaces of nanoparticles.

Authors:  Daniel T Allen; Christian D Lorenz
Journal:  J Mol Model       Date:  2017-07-03       Impact factor: 1.810

6.  Pytim: A python package for the interfacial analysis of molecular simulations.

Authors:  Marcello Sega; György Hantal; Balázs Fábián; Pál Jedlovszky
Journal:  J Comput Chem       Date:  2018-10-10       Impact factor: 3.376

  6 in total

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