NEW THEORY OF TRANSPORT FOR CELL-MEMBRANE PORES .2. EXACT RESULTS AND COMPUTER-SIMULATION (MOLECULAR-DYNAMICS)
NEW THEORY OF TRANSPORT FOR CELL-MEMBRANE PORES .2. EXACT RESULTS AND COMPUTER-SIMULATION (MOLECULAR-DYNAMICS)
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DOI：
10.1016/0005-2736(74)90112-6
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发表时间：
1974-01-01
期刊：
影响因子：
--
通讯作者：
SUBRAMANIAN, G
中科院分区：
文献类型：
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作者：
LEVITT, DG;SUBRAMANIAN, G
导出了溶剂在小孔中扩散系数的精确表达式，该小孔非常窄，以至于两个分子不能相互绕过。该理论指出，含有分子的孔洞的扩散系数等于一个分子在孔洞中单独存在时的扩散系数（D°）除以n。这个理论很普遍。描述了可用于确定°的两种不同模型。利用计算机模拟（分子动力学）对该理论进行了精确的实验验证。结果表明，只要孔内分子密度不太高，实验结果与理论预测没有显著差异。这些实验结果也验证了本系列第一篇论文中提出的理论，并为这些结果提供了强有力的支持。
An exact expression for the solvent diffusion coefficient in a pore that is so narrow that two molecules cannot get around each other is derived. The theory states that the diffusion coefficient for a pore that containsnmolecules is simply equal to the diffusion coefficient a molecule would have if it were all alone in the pore (D°) divided byn. The theory is very general. Two different models that can be used to determineD° are described. An exact experimental test of the theory is carried out by the use of computer simulation (molecular dynamics). It is shown that as long as the density of molecules in the pore is not too high, the experimental results are not significantly different from the theoretical preditions. These experimental results also test the theory presented in the first paper of this series and provide strong support for those results.