Surface Tension of Organic Liquids Using the OPLS/AA Force Field-Reference-Cited by-同舟云学术

Surface Tension of Organic Liquids Using the OPLS/AA Force Field

Published:2013-02-13 Issue:3 Volume:9 Page:1611-1615
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zubillaga Rafael A.¹,Labastida Ariana¹,Cruz Bibiana¹,Martínez Juan Carlos¹,Sánchez Enrique²,Alejandre José¹

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 México D.F., México

2. Colegio de Ciencia y Tecnología, Universidad Autónoma de la Ciudad de México, Plantel Casa Libertad, Calzada Ermita Iztapalapa s/n, 09620 México D. F., México

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300976t

Reference19 articles.

1. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

2. Development and testing of a general amber force field

3. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

4. Molecular dynamics simulation of the orthobaric densities and surface tension of water

Cited by 75 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Influence of molecular parameters on the representativeness of interfacial properties of simple fluids;The Journal of Chemical Physics;2024-08-02

2. Mass transfer at vapor-liquid interfaces of H₂O + CO₂ mixtures studied by molecular dynamics simulation;Journal of Non-Equilibrium Thermodynamics;2024-07-16

3. Understanding the surface tension reduction of the water/air interface due to the synergistic effect of the SDS-CTAB mixture: A molecular dynamics simulation study;Molecular Physics;2024-07-08

4. Vapor‐liquid interfacial properties of binary mixtures from molecular simulation and density gradient theory;AIChE Journal;2024-06-19

5. Molecular Dynamics Computational Study of Sustainable Green Surfactant for Application in Chemical Enhanced Oil Recovery;ACS Omega;2024-06-12