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arXiv physics/0506216physics.chem-phphysics.comp-ph
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反应扩散锋的介观多粒子碰撞动力学

Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts

K. Tucci, R. Kapral

摘要:

推广了一个用于流体动力学的介观多粒子碰撞模型,该模型考虑了不同扩散速率的物质之间的化学反应。这种推广为模拟复杂反应系统的反应扩散动力学提供了一种手段。该方法说明了立方自催化锋的研究。在平均场方程成立的条件下,介观方案能够再现反应扩散描述的结果。该模型还能够将分子波动对反应动力学的影响。

英文摘要:

A mesoscopic multi-particle collision model for fluid dynamics is generalized to incorporate the chemical reactions among species that may diffuse at different rates. This generalization provides a means to simulate reaction-diffusion dynamics of complex reactive systems. The method is illustrated by a study of cubic autocatalytic fronts. The mesoscopic scheme is able to reproduce the results of reaction-diffusion descriptions under conditions where the mean field equations are valid. The model is also able to incorporate the effects of molecular fluctuations on the reactive dynamics.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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