Estimation of interfacial tension for immiscible and partially miscible liquid systems by Dissipative Particle Dynamics

被引：18

作者：

Goel, Himanshu ^{[1
]}

Chandran, P. Rakesh ^{[1
]}

Mitra, Kishalay ^{[1
]}

Majumdar, Saptarshi ^{[1
]}

Ray, Partha ^{[2
]}

机构：

[1] Indian Inst Technol, Dept Chem Engn, Hyderabad, Andhra Pradesh, India

[2] Univ Calcutta, Dept Chem Engn, Kolkata, W Bengal, India

来源：

CHEMICAL PHYSICS LETTERS | 2014年 / 600卷

关键词：

MOLECULAR-DYNAMICS; FORCE; WATER; MODELS; GAP;

D O I：

10.1016/j.cplett.2014.03.061

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Dissipative Particle Dynamics (DPD) can calculate mesoscale properties like interfacial tension for liquid-liquid systems with much less computational rigor compared to Molecular Dynamics (MD). As of now, no general coarse graining protocol is available for estimating interfacial tension for large number of immiscible and partially miscible systems. In the present effort, a protocol has been formulated for coarse graining of liquid molecules based on underlying chemistry and physics of the individual components and the capability of DPD framework based on self-repulsive interaction parameters of each component to estimate interfacial tension for large number of liquid-liquid systems is tested. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：62 / 67

页数：6

共 49 条

[21] Investigation of oil-in-water emulsion stability with relevant interfacial characteristics simulated by dissipative particle dynamics
Liang, Xiaoping
Wu, Jianqing
Yang, Xiangguan
Tu, Zhongbing
Wang, Yu
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2018, 546 : 107 - 114
[22] Crossover behavior study of a thinning liquid bridge using the dissipative particle dynamics method
Mo, Chao-jie
Qin, Li-zi
Yang, Li-jun
COMPUTERS & FLUIDS, 2017, 157 : 232 - 239
[23] Liquid-liquid phase behaviour, liquid-liquid density, and interfacial tension of multicomponent systems at 298 K
Garcia-Flores, Blanca Estela
Trejo, Arturo
Aguila-Hernandez, Jacinto
FLUID PHASE EQUILIBRIA, 2007, 255 (02) : 147 - 159
[24] A many-body dissipative particle dynamics study of nanoneedle-liquid interface
Falsafi, Ali
Pishkenari, Hossein Nejat
JOURNAL OF APPLIED PHYSICS, 2018, 124 (21)
[25] Modeling Gas-Liquid Interfaces by Dissipative Particle Dynamics: Adsorption and Surface Tension of Cetyl Trimethyl Ammonium Bromide at the Air-Water Interface
Wang, Xinyang
Santo, Kolattukudy P.
Neimark, Alexander, V
LANGMUIR, 2020, 36 (48) : 14686 - 14698
[26] Solvent effect on phase transition of lyotropic rigid-chain liquid crystal polymer studied by dissipative particle dynamics
Zhao, Tongyang
Wang, Xiaogong
JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (02)
[27] Molecular dynamics and dissipative particle dynamics simulations of the miscibility and mechanical properties of GAP/DIANP blending systems
Yang, Junqing
Zhang, Xueli
Gao, Pin
Gong, Xuedong
Wang, Guixiang
RSC ADVANCES, 2014, 4 (79) : 41934 - 41941
[28] Surfactant Synergistic Effect and Interfacial Properties of Microemulsions Compounded with Anionic and Nonionic Surfactants Using Dissipative Particle Dynamics
Zhang, Biao
Guan, Baoshan
Tao, Yufan
Liu, Weidong
Peng, Baoliang
Lv, Kai
ACS OMEGA, 2024, 9 (22): : 23903 - 23916
[29] Salt effects on liquid-liquid equilibria in the partially miscible systems water+2-butanone and water plus ethyl acetate
Al-Sahhaf, TA
Kapetanovic, E
Kadhem, Q
FLUID PHASE EQUILIBRIA, 1999, 157 (02) : 271 - 283
[30] Interfacial tension in cooled heterogeneous liquid acetonitrile–ethyl acetate–isopropanol–water–phenol systems
O. B. Rudakov
E. A. Khorokhordina
M. A. Preobrazhenskii
Russian Journal of Physical Chemistry A, 2017, 91 : 754 - 757

← 1 2 3 4 5 →