Molecular Dynamics Investigation of the Liquid-Gas Interface Behavior: Simulations of the Sodium Oleate/Sodium Abietate/Water System

2021 ◽  
pp. 128086
Author(s):  
Chenliang Wang ◽  
Leming Ou
Keyword(s):  
Molecular Dynamics ◽  
Sodium Oleate ◽  
Water System ◽  
Interface Behavior

Using Molecular Dynamics to Study Liquid Phase Behavior: Simulations of the Ternary Sodium Laurate/Sodium Oleate/Water System

Langmuir ◽  
2011 ◽  
Vol 27 (18) ◽  
pp. 11381-11393 ◽  
Author(s):  
Dylan T. King ◽  
Dallas B. Warren ◽  
Colin W. Pouton ◽  
David K. Chalmers
Keyword(s):  
Molecular Dynamics ◽  
Liquid Phase ◽  
Phase Behavior ◽  
Sodium Oleate ◽  
Water System ◽  
Sodium Laurate

Self-diffusion of lignite/water under different temperatures and pressure: A molecular dynamics study

2016 ◽  
Vol 30 (01) ◽  
pp. 1550253 ◽  
Author(s):  
Xinjian Liu ◽  
Yu Jin ◽  
Congliang Huang ◽  
Jingfeng He ◽  
Zhonghao Rao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Water System ◽  
Simulation Method ◽  
The Self ◽  
Dynamics Simulation ◽  
Low Rank ◽  
Self Diffusion ◽  
Change Mechanism ◽  
Different Temperatures ◽  
Temperature And Pressure

Temperature and pressure have direct and remarkable implications for drying and dewatering effect of low rank coals such as lignite. To understand the microenergy change mechanism of lignite, the molecular dynamics simulation method was performed to study the self-diffusion of lignite/water under different temperatures and pressure. The results showed that high temperature and high pressure can promote the diffusion of lignite/water system, which facilitates the drying and dewatering of lignite. The volume and density of lignite/water system will increase and decrease with temperature increasing, respectively. Though the pressure within simulation range can make lignite density increase, the increasing pressure showed a weak impact on variation of density.

Molecular dynamics studies of an amphiphilic monolayer/water system

1993 ◽  
Vol 11 (1) ◽  
pp. 56
Author(s):  
Josef Böcker ◽  
Michael Schlenkrich ◽  
Philippe Bopp ◽  
Jürgen Brickmann
Keyword(s):  
Molecular Dynamics ◽  
Water System

The coalescence behavior of water and ethanol droplets: A molecular dynamic study

2020 ◽  
Vol 34 (26) ◽  
pp. 2050280
Author(s):  
Yi Que ◽  
Sen Tian ◽  
Maoxiang Li ◽  
Xuanyan Dai
Keyword(s):  
Molecular Dynamics ◽  
Outer Layer ◽  
Industrial Production ◽  
Water System ◽  
Simulation Method ◽  
The Other ◽  
Behavioral Characteristics ◽  
Coalescence Process ◽  
Ethanol Ethanol ◽  
Ethanol System

The droplet coalescence phenomenon extensively exists in the industrial production and application, as well as in nature, which is of great research significance. This paper adopted the molecular dynamics (MDs) simulation method to investigate the behavioral characteristics of water/water, ethanol/ethanol and water/ethanol nanodroplets coalescence. The results suggested that, in water and ethanol nanodroplet coalescence process within the water/ethanol system, ethanol was always wrapped on the outer layer of water droplets. The droplet shrinkage in the water/water system was greater than those in the other two systems; meanwhile, that in the water/ethanol system rapidly increased after the contact of droplets, and subsequently surpassed that in the ethanol/ethanol system.

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