水合物
十二烷基硫酸钠
肺表面活性物质
化学
甲烷
笼状水合物
动力学
分子动力学
分子
无机化学
色谱法
有机化学
计算化学
生物化学
量子力学
物理
作者
Nilesh Choudhary,Vrushali R. Hande,Sudip Roy,Suman Chakrabarty,Rajnish Kumar
标识
DOI:10.1021/acs.jpcb.8b02285
摘要
In experimental studies, it has been observed that the presence of sodium dodecyl sulfate (SDS) significantly increases the kinetics of hydrate formation and the final water-to-hydrate conversion ratio. In this study, we intend to understand the molecular mechanism behind the effect of SDS on the formation of methane hydrate through molecular dynamics simulation. Hydrate formation conditions similar to that of laboratory experiments were chosen to study hydrate growth kinetics in 1 wt % SDS solution. We also investigate the effect of interactions with isolated SDS molecules on methane hydrate growth. It was observed that the hydrophobic tail part of the SDS molecule favorably interacts with the growing hydrate surface and may occupy the partial hydrate cages while the head groups remain exposed to water.
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