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Simulation of Synthesizing ZSM-35 Kinetics with Templates
Wang Lijuna1, Li Baohuia1, Chen Tiehongb2, Jin Qinghuaa1, Wang Jingzhongb2, Tang Shixiongb2, Ding Datonga1
1.Department ofPhysics Nankai University, Tianjin 300071;2.Department of Chemistry Nankai University, Tianjin 300071
Abstract:
Molecular simulation of the interactions of three kinds of organic templates, pyrroli-dine, ethylenediamine andn-butylamine, with zeolite ZSM-35, is carried out. The calculated en-ergies are associated with the experimental synthesis rates of ZSM-35. It proves that the synthesis rate of ZSM-35 can be rationalized with the non-bonding interaction-energy of templates and zeo-lite.
Key words:  Zeolite, Template, Energy analysis, Synthesis rate
FundProject:国家自然科学基金资助项目(29603004)
模板剂合成ZSM-35动力学模拟计算
王利军,李宝会,陈铁红,金庆华,王敬中,唐世雄,丁大同*
南开大学物理系,天津 300071
摘要:
通过分子模拟途径,将吡咯烷、乙二胺、正丁胺三种有机模板剂与ZSM-35沸石骨架间非成键互作用的能学分析分别于它们的合成实验结果进行对照,论证模板剂与沸石间非键相互作用能与合成速率的关联。发现处于十员环孔道中的上述三种模板剂与ZSM-35骨架间非成键互作用能从小到大的顺序与晶化速率从快到慢的顺序一致。
关键词:  沸石  模板剂  能学分析  合成速率
DOI:10.1088/1674-0068/13/5/637-640
分类号: