首页> 外文会议>Supercritical fluids : Fundamentals and applications >Molecular simulation and modeling of supercritical water and aqueous solutions
【24h】

Molecular simulation and modeling of supercritical water and aqueous solutions

机译:超临界水和水溶液的分子模拟和建模

获取原文
获取原文并翻译 | 示例

摘要

Most biochemical and industrial porcesses occur in solution, making it crucial to be able to understand solvation effects on solubility and chemical reactivity 1[,2]. Numerious recent deveopments have resulted in an increased interest in supercritical water (SCW) and aqueous solutions [3-5]. In particular, supercritical water is generating interest as an environmentally-benign solvent for a variety of chemical processes and technological applications including selective synthesis [6], coal conversion [7], deuteration of simple organic compounds [8], and conversion of organic waste to light feedstock [9], where water participates as a solvent, a catalyst, and a reactant. Perhaps the most promising application in this area is the destructive oxidation of biochemical and pharmacological hazardous wastes, known as the supercritical swater oxidation (SCWO) process [10-14].
机译:大多数生化和工业过程都在溶液中发生,因此至关重要的是要能够了解溶剂化对溶解度和化学反应性的影响[1,,2]。最近的许多发展导致人们对超临界水(SCW)和水溶液的兴趣增加[3-5]。尤其是,超临界水在各种化学过程和技术应用(包括选择性合成[6],煤炭转化[7],简单有机化合物的氘化[8]和有机废物的转化)中作为环境友好的溶剂引起了人们的兴趣。轻质原料[9],其中水作为溶剂,催化剂和反应物参与。在该领域最有希望的应用可能是生化和药理危险废物的破坏性氧化,称为超临界水氧化(SCWO)工艺[10-14]。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号