Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel

Hyonseok Hwang; George C.Schatz; Mark A.Ratner

首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel

【24h】

Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel

机译：非均质离子扩散系数纳入动力学格子大正则蒙特卡罗模拟及其在简单模型离子通道中的离子电流计算中的应用

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

To deal with inhomogeneous diffusion coefficients of ions without altering the lattice spacing in the kinetic lattice grand canonical Monte Carlo(KLGCMC)simulation,an algorithm that incorporates diffusion coefficient variation into move probabilities is proposed and implemented into KLGCMC calculations.Using this algorithm,the KLGCMC simulation method is applied to the calculation of ion currents in a simple model ion channel system.Comparisons of ion currents and ion concentrations from these simulations with Poisson-Nernst-Planck(PNP)results show good agreement between the two methods for parameters where the latter method is expected to be accurate.

机译：为了解决离子的不均匀扩散系数而不改变动力学晶格大正则蒙特卡洛（KLGCMC）模拟中的晶格间距，提出了一种将扩散系数变化纳入移动概率的算法，并将其实现到KLGCMC计算中。使用该算法，KLGCMC模拟方法被用于简单模型离子通道系统中的离子流的计算，通过与Poisson-Nernst-Planck（PNP）结果进行的这些模拟的离子流和离子浓度的比较表明两种方法之间的参数具有很好的一致性，而后者该方法应该是准确的。

著录项

来源
《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第49期|共7页
作者
Hyonseok Hwang; George C.Schatz; Mark A.Ratner;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel [J] . Hyonseok Hwang, George C.Schatz, Mark A.Ratner The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第49期

机译：非均质离子扩散系数纳入动力学格子大正则蒙特卡罗模拟及其在简单模型离子通道中的离子电流计算中的应用
2. Individual activity coefficients of a solvent primitive model electrolyte calculated from the inverse grand-canonical Monte Carlo simulation and MSA theory [J] . Lamperski S., P?uciennik M. Molecular physics . 2011,第1期

机译：通过逆大正则蒙特卡罗模拟和MSA理论计算的溶剂原始模型电解质的单个活度系数
3. Atomic diffusion inside a STM junction: simulations by kinetic Monte Carlo coupled to tunneling current calculations [J] . Baud S., Bouju X., Ramseyer C., Surface Science . 2003,第3期

机译：STM结内的原子扩散：动力学蒙特卡洛模拟与隧道电流计算耦合
4. KINETIC LATTICE MONTE CARLO SIMULATIONS OF DIFFUSION AND DECOMPOSITION KINETICS IN FE-CU ALLOYS: EMBEDDED ATOM AND NEAREST NEIGHBOR POTENTIALS [C] . Symposium on phase transformations and systems driven far from equilibrium . 1998

机译：Fe-Cu合金中扩散和分解动力学的动力学格蒙特卡罗模拟：嵌入原子和最近邻电位
5. Molecular Exchange Monte Carlo. a Generalized Method for Identity Exchanges in Grand Canonical Monte Carlo Simulations [D] . ?Soroush Barhaghi, Mohammad 2019

机译：分子交换蒙特卡洛。大规范蒙特卡罗模拟中的身份交换的广义方法
6. The Lattice Kinetic Monte Carlo Simulation of Atomic Diffusion and Structural Transition for Gold [O] . Xiang He, Feng Cheng, Zhao-Xu Chen -1

机译：金的原子扩散和结构转变的晶格动力学蒙特卡洛模拟
7. Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel† [O] . Hyonseok Hwang, George C. Schatz, Mark A. Ratner 2007

机译：将非均匀离子扩散系数纳入动力晶格大典型蒙特卡罗模拟及其在简单模型离子通道中的离子电流计算中的应用†
8. Kinetic Lattice Monte Carlo Model for Oxygen Vacancy Diffusion in Praseodymium Doped Ceria: Applications to Materials Design [R] . Dholabhai, P. P., Anwar, S., Adams, J. B., 2012

机译：镨掺杂氧化铈中氧空位扩散的动力晶格monte Carlo模型：材料设计的应用

Incorporation of Inhomogeneous Ion Diffusion Coefficients into Kinetic Lattice Grand Canonical Monte Carlo Simulations and Application to Ion Current Calculations in a Simple Model Ion Channel

摘要

著录项

相似文献

相关主题

期刊订阅