Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.2172/1032490 |
报告编号 | FINAL REPORT |
来源ID | OSTI ID: 1032490 |
Final Report: Computer Simulation of Osmosis and Reverse Osmosis in Structured Membranes | |
Sohail Murad | |
2012-01-03 | |
出版年 | 2012 |
语种 | 英语 |
国家 | 美国 |
领域 | 地球科学 |
英文摘要 | Molecular simulation methods were developed as part of this project to increase our fundamental understanding of membrane based separation systems. Our simulations clarified for example that steric (size) effects had a significant impact on the desalination membranes. Previously it was thought the separation was entirely driven by coulombic force (attractive/repulsive forces at the membrane surfaces). Steric effects played an important role, because salt ions in brackish water are never present alone, but are strongly hydrated which effectively increases their size, and makes it impossible to enter a membrane, while the smaller water molecules can enter more readily. Membrane surface effects did play a role in increasing the flux of water, but not in the separation itself. In addition we also developed simulation methods to study ion exchange, gas separations, and pervaporation. The methods developed were used to once again increase our fundamental understanding of these separation processes. For example our studies showed that when the separation factor of gases in membranes can be significantly affected by the presence of another gas, it is generally because the separation mechanism has changed. For example in the case of nitrogen and carbon dioxide, in their pure state the separation factor is determined by diffusion, while in mixtures it is influenced more by adsorption in the membrane (zeolite in our case) Finally we developed a new technique using the NMR chemical shift to determine intermolecular interactions for mixtures. For polar-nonpolar systems such as Xe dissolved in water we were able to significantly improve the accuracy of gas solubilities, which are very sensitive to the cross interaction between water and Xe. |
英文关键词 | Molecular Modeling Reverse Osmosis Gas Separation Water Treatment Pervaporation. |
URL | 查看原文 |
来源平台 | US Department of Energy (DOE) |
引用统计 | |
文献类型 | 科技报告 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/5693 |
专题 | 地球科学 |
推荐引用方式 GB/T 7714 | Sohail Murad. Final Report: Computer Simulation of Osmosis and Reverse Osmosis in Structured Membranes,2012. |
条目包含的文件 | 条目无相关文件。 |
个性服务 |
推荐该条目 |
保存到收藏夹 |
查看访问统计 |
导出为Endnote文件 |
谷歌学术 |
谷歌学术中相似的文章 |
[Sohail Murad]的文章 |
百度学术 |
百度学术中相似的文章 |
[Sohail Murad]的文章 |
必应学术 |
必应学术中相似的文章 |
[Sohail Murad]的文章 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论