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化学进展 2004, Vol. 16 Issue (02): 291- 前一篇   后一篇

• 综述与评论 •

分子模拟技术在石油相关领域的应用

曹斌*;高金森;徐春明   

  1. (石油大学重质油加工国家重点实验室 北京 102249)
  • 收稿日期:2002-12-01 修回日期:2003-03-01 出版日期:2004-03-24 发布日期:2004-03-24
  • 通讯作者: 曹斌

The Applications of Molecular Simulation Technology in the Fields of Petroleum

Cao Bin*;Gao Jinsen;Xu Chunming   

  1. (State Key Laboratory of Heavy Oil Processing, University of Petroleum, Beijing 102249, China)
  • Received:2002-12-01 Revised:2003-03-01 Online:2004-03-24 Published:2004-03-24
  • Contact: Cao Bin
分子模拟技术是近些年发展起来的一门新兴计算化学技术.它在辅助物质设计及分子结构理解方面所取得的一系列显著成绩使得它开始在与石油相关的油田化学、催化剂研制、高分子设计、化学工程以及重质油特征研究等方面有越来越广泛的应用.
Molecular simulation as a promising technology of computational chemistry has been rapidly developed in recent years. It has been proven to be a useful tool in the fields of material design and structural construction. The re-markable developments make it possible to apply this technology in wide ranges, which are relative to the petroleum such as oilfield chemistry, catalyst preparation, macromolecular design, chemical engineering and heavy oil characterization.

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