Molecular Dynamics Study of the Foam Stability of a Mixed Surfactant/Water System with and without Calcium Ions

2011 ◽  
Vol 115 (16) ◽  
pp. 4645-4653 ◽  
Author(s):  
Wenhong Yang ◽  
Xiaozhen Yang
Keyword(s):  
Molecular Dynamics ◽  
Calcium Ions ◽  
Foam Stability ◽  
Water System ◽  
Mixed Surfactant

Molecular Dynamics Study of the Influence of Calcium Ions on Foam Stability

2010 ◽  
Vol 114 (31) ◽  
pp. 10066-10074 ◽  
Author(s):  
Wenhong Yang ◽  
Xiaozhen Yang
Keyword(s):  
Molecular Dynamics ◽  
Calcium Ions ◽  
Foam Stability

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.

scholarly journals In silico assessment of human Calprotectin subunits (S100A8/A9) in presence of sodium and calcium ions using Molecular Dynamics simulation approach

PLoS ONE ◽  
2019 ◽  
Vol 14 (10) ◽  
pp. e0224095 ◽  
Author(s):  
Nematollah Gheibi ◽  
Mohammad Ghorbani ◽  
Hanifeh Shariatifar ◽  
Alireza Farasat
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Calcium Ions ◽  
In Silico ◽  
Dynamics Simulation ◽  
Simulation Approach

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.

A pore-scale study on improving CTAB foam stability in heavy crude oil−water system using TiO2 nanoparticles

2019 ◽  
Vol 183 ◽  
pp. 106411 ◽  
Author(s):  
Donya Panahpoori ◽  
Hosein Rezvani ◽  
Rafat Parsaei ◽  
Masoud Riazi
Keyword(s):  
Crude Oil ◽  
Tio2 Nanoparticles ◽  
Foam Stability ◽  
Water System ◽  
Heavy Crude Oil ◽  
Pore Scale ◽  
Oil Water ◽  
Heavy Crude

A study on the structural features of SELK, an over-expressed protein in hepatocellular carcinoma, by molecular dynamics simulations in a lipid–water system

2016 ◽  
Vol 12 (10) ◽  
pp. 3209-3222 ◽  
Author(s):  
Andrea Polo ◽  
Stefano Guariniello ◽  
Giovanni Colonna ◽  
Gennaro Ciliberto ◽  
Susan Costantini
Keyword(s):  
Hepatocellular Carcinoma ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Conformational Dynamics ◽  
Water System ◽  
Structural Features ◽  
System P ◽  
Dynamics Simulations

Terminal regions in SELK present different conformational dynamics being coupled complicatedly through the membrane.

scholarly journals Development of the Charmm Force Field for Cyclosporine a and Application to Molecular Dynamics Simulations using a Membrane-Water System

2020 ◽  
Vol 118 (3) ◽  
pp. 507a
Author(s):  
Tsutomu Yamane ◽  
Ryo Takahashi ◽  
Akari Ito ◽  
Toru Ekimoto ◽  
Mitsunori Ikeguchi
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Cyclosporine A ◽  
Water System ◽  
Charmm Force Field ◽  
Dynamics Simulations
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