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电化学  2012 

基于随机行走的二维空间扩散模拟研究

, PP. 427-436

Keywords: 扩散,随机行走,模拟,均方位移,表观概率分布

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Abstract:

分子的扩散行为是微观化学的重要研究领域.影响扩散行为的因素很多,但是目前各个因素的具体影响效果还不明确.作者基于随机行走理论建立了分子在二维空间的扩散模型,依据此模型自主开发了模拟软件以及数据分析系统,并利用该模拟软件系统研究了势垒尧横向速度等因素对扩散行为的影响,验证了该模型的可靠性,证明根据该模型可以得到和实验尧理论相吻合的结果.该软件有望成为模拟微观化学扩散行为的潜在平台,如电化学以及膜过滤过程中的扩散.

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