MOLECULAR DYNAMICS SIMULATION IN CHEMICAL ENGINEERING

Lu Jiazhen; Lu Xiaohua; Zhou Jian; Wang Yanru; Shi Jun(College of petroleum Chemical Engineering

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MOLECULAR DYNAMICS SIMULATION IN CHEMICAL ENGINEERING

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- MOLECULAR DYNAMICS SIMULATION IN CHEMICAL ENGINEERING
- CIESC Journal Issue S1, (1998)
- 作者机构：
  
  南京化工大学石油化工学院!南京210009,南京化工大学石油化工学院!南京210009,南京化工大学石油化工学院!南京210009,南京化工大学石油化工学院!南京210009,南京化工大学石油化工学院,南京,210009
- 作者简介：
- 基金信息：
- DOI：
  CLC： Q018
- Online First：30 December 1998，
  
  Published：30 December 1998
- 稿件说明：
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Lu Jiazhen, Lu Xiaohua, Zhou Jian, et al. MOLECULAR DYNAMICS SIMULATION IN CHEMICAL ENGINEERING[J]. CIESC Journal, 1998, (S1).
DOI：

Lu Jiazhen, Lu Xiaohua, Zhou Jian, et al. MOLECULAR DYNAMICS SIMULATION IN CHEMICAL ENGINEERING[J]. CIESC Journal, 1998, (S1). DOI：

摘要

综述了计算机分子动力学（MD）模拟的原理及其在化学工程，尤其是化工新技术研究方面的应用．文中提及的实例涉及表面及界面、复杂流体、超临界流体和膜等领域．对MD模拟今后的发展，包括其在化工研究中的作用也进行了评述．

Abstract

This article reviews the applications of molecular dynamics(MD) simulation in chemical engineering

especially in new technique researches.Examples of applying MDsimulation to new technique researches cover topics as surface and interface

complex fluids

supercritical fluids and membranes.The principles and future of MD simulation are alsodiscussed.It can be concluded that MD simulation has created many opportunities for the developments of chemical engineering

and it will play a much more important role in the future.

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