Molecular Dynamics Simulation of Gas Molecules Reflected from Rough Surface

2011 ◽  
Author(s):  
O. A. Aksenova ◽  
I. A. Khalidov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rough Surface ◽  
Dynamics Simulation ◽  
Gas Molecules

scholarly journals Salt- and gas-filled ices under planetary conditions

2019 ◽  
Vol 377 (2146) ◽  
pp. 20180262 ◽  
Author(s):  
Livia E. Bove ◽  
Umbertoluca Ranieri
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Theme Issue ◽  
Planetary Interiors ◽  
Guest Species ◽  
Gas Molecules ◽  
Simulation Results ◽  
Experimental Findings

In recent years, evidence has emerged that solid water can contain substantial amounts of guest species, such as small gas molecules—in gas hydrate structures—or ions—in salty ice structures—and that these ‘filled’ ice structures can be stable under pressures of tens of Gigapascals and temperatures of hundreds of Kelvins. The inclusion of guest species can strongly modify the density, vibrational, diffusive and conductivity properties of ice under high pressure, and promote novel exotic properties. In this review, we discuss our experimental findings and molecular dynamics simulation results on the structures formed by salt- and gas-filled ices, their unusual properties, and the unexpected dynamical phenomena observed under pressure and temperature conditions relevant for planetary interiors modelling. This article is part of the theme issue ‘The physics and chemistry of ice: scaffolding across scales, from the viability of life to the formation of planets’.

Molecular dynamics simulation of diffusion behaviour of gas molecules within oil–paper insulation system

2013 ◽  
Vol 39 (12) ◽  
pp. 988-999 ◽  
Author(s):  
Lijun Yang ◽  
Chaoliang Qi ◽  
Gaolin Wu ◽  
Ruijin Liao ◽  
Qian Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Insulation System ◽  
Gas Molecules ◽  
Paper Insulation ◽  
Diffusion Behaviour

Oil extraction mechanism in CO2 flooding from rough surface: Molecular dynamics simulation

2019 ◽  
Vol 494 ◽  
pp. 80-86 ◽  
Author(s):  
Timing Fang ◽  
Yingnan Zhang ◽  
Rui Ma ◽  
Youguo Yan ◽  
Caili Dai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Rough Surface ◽  
Oil Extraction ◽  
Dynamics Simulation ◽  
Co2 Flooding ◽  
Extraction Mechanism
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