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首页> 外文期刊>The Journal of Chemical Physics >Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones Fluids: A molecular dynamics simulation
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Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones Fluids: A molecular dynamics simulation

机译：部分可混溶的Lennard-Jones流体的二元和三元混合物的界面张力行为：分子动力学模拟

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摘要

By means of extensive equilibrium molecular dynamics simulations we have investigated the behavior of the interfacial tension #gamma# of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature T~* = k_BT/(implied by) in the range 0.6 <= T~* <= 3.0. We find that, unlike the monotonic decay obtained for the liquid-vapor interfacial tension, for the liquid-liquid interface, #gamma#(T) has a maximum at a specific temperature. We also investigate the effect that surfactantlike particles have on the thermodynamic as well as the structural properties of the liquid-liquid interface. It is found that #gamma# decays monotonically as the concentration of the surfactantlike particles increases.
机译：通过广泛的平衡分子动力学模拟，我们研究了两种不混溶的对称Lennard-Jones流体的界面张力＃gamma＃的行为。研究该量作为降低的温度T〜* = k_BT /（由...表示）在0.6 <= T〜* <= 3.0范围内的函数。我们发现，与针对液-气界面张力获得的单调衰减不同，对于液-液界面，＃gamma＃（T）在特定温度下具有最大值。我们还研究了类表面活性剂颗粒对热力学以及液-液界面的结构性质的影响。发现随着表面活性剂样颗粒的浓度增加，＃γ＃单调衰减。

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