baner-filico
Home  //  News  //  Extension of the test-are methodology for calculating the interfacial tension in the gran canonical ensemble

gamma-pore We have extended the test-area methodology, valid initially for calculating the interfacial tension in the NVT or canonical ensemble, to the grand canonical ensemble. In the figure (Fig. 2 of the manuscript published in Journal of Chemical Physics) we show the solid-fluid interfacial tension of LJ molecules adsorbed on slitlike pores of (a) different pore widths H* and dispersive energy ratio εsf/εff = 2.0 and (b) pore width H* = 8 and different dispersive energy ratios εsf/εff obtained from the TA method in the grand canonical ensemble (blue circles), from the TA method in the canonical ensemble (red squares), and from the Irving-Kirkwood procedure in the grand canonical ensemble (green triangles). The blue dashed line is a guide to the eye.

Menu

Home

Overview

Research

People

Publications

Links

News

Motorsport

Others

Links

Guests Online

We have 11 guests and no members online

S5 Box

Login

Location

    Departamento de Física Aplicada
    Facultad de Ciencias Experimentales
    Universidad de Huelva
    21071 Huelva Spain
  • Phone number: +34 959219796
  • Fax: +34 959219777
  • E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.