The effect of branching on the structure of confined thin films of alkanes
The effect of branching on the structure of confined thin films of alkanes
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支化对烷烃限域薄膜结构的影响
DOI：
10.1209/epl/i1997-00144-3
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发表时间：
1997
期刊：
影响因子：
1.8
通讯作者：
M. Dijkstra
中科院分区：
文献类型：
--
作者：
M. Dijkstra
我们报道了在两个固体表面之间由几个直链和支链烷烃组成的巨正则系综中的计算机模拟。我们计算了流体施加在平板上的溶剂化力。线性正庚烷的溶剂化力随距离振荡，周期接近分子的宽度。支链烷烃(2-甲基十一烷和2-甲基庚烷)表现出类似的振荡行为，但振荡减少，并向吸引区域移动。
We report computer simulations in the grand canonical ensemble of a system of several linear and branched alkanes between two solid surfaces. We computed the solvation force exerted by the fluid on the plates. The solvation force for linear decane oscillates with distance with a periodicity close to the width of the molecules. The branched alkanes (2-methylundecane and 2-methylheptane) show a similar oscillatory behaviour; however, the oscillations are decreased and are shifted to the attractive regime.