| 查看: 1703 | 回复: 22 | ||||
| 【奖励】 本帖被评价20次，作者wangjiang3787增加金币 15.8 个 | ||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||||
[资源]
失效资源重发Computer Modelling of Microporous Materials
|
||||
|
COMPUTER MODELLING OF MICROPOROUS MATERIALS Edited By C.R.A. Catlow, Royal Institution of Great Britain, London, U.K. B. Smit, University of Amsterdam, Amsterdam, The Netherlands R.A. van Santen, Eindhoven University of Technology, Eindhoven, The Netherlands Description Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. This book aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. Audience Chemical engineers, geologists, theoretical chemists, physical chemists, material scientists, in academia and industry. Contents 1.Static Lattice Modelling and Structure Prediction of Micro- and Meso-Porous Materials 2.Adsorption Phenomena in Microporous Materials 3.Dynamics of Sorbed Molecules in Zeolites 4.Monte Carlo Simulations of Diffusion and Reactions in Zeolites 5.Plane Wave Pseudopotential Modelling Studies of Zeolites 6.Reaction Mechanisms in Solid Acid Catalysts 7.Structure and Reactivity of Metal Ion Species in High Silica Zeolites 8.Template Host Interaction and Template Design 9.The Interplay of Experiment and Simulation in Zeolite ScienceBibliographic details Hardbound, 298 pages, publication date: APR-2004 ISBN-13: 978-0-12-164137-5 ISBN-10: 0-12-164137-6 Imprint: ACADEMIC PRESS More information http://www.amazon.cn/Computer-Mo ... rials/dp/0121641376 |
回复此楼» 本帖附件资源列表
-
欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：xiaomuchong@tal.com - 附件 1 : Computer_Modelling_of_Microporous_Materials.pdf
2014-02-11 16:42:22, 16.11 M
» 收录本帖的淘帖专辑推荐
 专业书籍（外文版）WM | 文献 |
» 猜你喜欢
中南大学化学化工学院招收电池储能、理论计算方向博士生
已经有16人回复
-
风电环氧领域
已经有3人回复
-
物理化学论文润色/翻译怎么收费?
已经有254人回复
-
请问哪里可以代烧带压力的炉子？
已经有6人回复
-
关于合成MIL-125的求助
已经有0人回复
-
双非本硕光催化方向想读博，请各位老师看看我！
已经有2人回复
-
瑞典林雪平大学范立洲课题组现招聘博士后、岗位制博士生
已经有0人回复
-
中国科大仿生界面材料科学全国重点实验室戴懿涛研究员/江雷院士团队招聘科研助理
已经有0人回复
-
中国科大仿生界面材料科学全国重点实验室戴懿涛研究员/江雷院士团队招聘科研助理
已经有0人回复
-
寻求物理化学学报最新的投稿模板！
已经有4人回复
-
东南大学杰青/海优团队招聘催化方向博士后
已经有24人回复
12楼2015-03-06 11:12:39
 本帖仅楼主可见 |
2楼2014-02-11 21:15:08
简单回复
2014-02-12 07:47
回复
五星好评 顶一下，感谢分享！
lwg35楼
2014-02-12 12:18
回复
五星好评 顶一下，感谢分享！
2014-02-14 20:12
回复
五星好评 顶一下，感谢分享！
wmnick7楼
2014-03-01 00:16
回复
五星好评 顶一下，感谢分享！
supervb8楼
2014-03-01 12:12
回复
五星好评 顶一下，感谢分享！
qing1089楼
2014-03-09 10:17
回复
五星好评 顶一下，感谢分享！
locustzhang10楼
2014-05-18 13:02
回复
五星好评 顶一下，感谢分享！
lusostty11楼
2014-07-09 17:19
回复
五星好评 顶一下，感谢分享！
cherrily13楼
2015-04-20 18:36
回复
五星好评 顶一下，感谢分享！
jinpengfei14楼
2015-11-04 20:44
回复
五星好评 顶一下，感谢分享！
