Computer simulations of bilayer membranes: Self-assembly and interfacial tension
Computer simulations of bilayer membranes: Self-assembly and interfacial tension
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DOI：
10.1063/1.476160
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发表时间：
1998-05-01
影响因子：
4.4
通讯作者：
Lipowsky, R
中科院分区：
文献类型：
--
作者：
Goetz, R;Lipowsky, R
二元Lennard-Jones流体由“溶剂”和“表面活性剂”分子组成，作为两亲分子在溶液中的简化模型系统进行了研究。利用蒙特卡罗和分子动力学模拟，我们观察到的表面活性剂分子的自组装成双层膜。这些双层是流体，因为表面活性剂表现出快速的横向扩散。我们还测量了这些双层的界面张力和压缩模量。我们表明，他们表现出无张力状态，并表征相应的应力分布。通过这种方式，我们弥合了以前的理论研究之间的差距，这些研究是基于（i）原子分辨率的离散模型和（ii）连续模型，其中双层膜被视为光滑表面。(C)1998年美国物理学会。
Binary Lennard-Jones fluids consisting of "solvent" and "surfactant" molecules are studied as simplified model systems for amphiphilic molecules in solution. Using Monte Carlo and molecular dynamics simulations, we observe the self-assembly of the surfactant molecules into bilayer membranes. These bilayers are fluid since the surfactants exhibit rapid lateral diffusion. We also measure the interfacial tension and the compressibility modulus of these bilayers. We show that they exhibit a tensionless state and characterize the corresponding stress profile. In this way, we bridge the gap between previous theoretical studies which were based (i) on discrete models with atomic resolution and (ii) on continuum models in which the bilayer membrane is treated as a smooth surface. (C) 1998 American Institute of Physics.