| 高硅沸石骨架结构及其稳定性的模拟计算(I)* |
| |
| 引用本文： | 李宝宗,徐文国,裘式纶,庞文琴,徐如人. 高硅沸石骨架结构及其稳定性的模拟计算(I)*[J]. 物理化学学报, 1998, 14(1): 45-50. DOI: 10.3866/PKU.WHXB19980109 |
| |
| 作者姓名： | 李宝宗 徐文国 裘式纶 庞文琴 徐如人 |
| |
| 作者单位： | Key Laboratory of Inorganic Synthesis Preparative Chemistry,Department of Chemistry,Jilin University,Changchun 130023,College of Chemical Engineering and Materials,Beijing Institute Technology,Beijing 100081 |
| |
| 摘 要： |
|
| 关 键 词： | 高硅沸石 晶格能极小化 晶格能 骨架密度 结构和性能 |
| 收稿时间： | 1997-03-04 |
| 修稿时间： | 1997-06-23 |
Simulated Calculation of High-Silica Zeolites Structure and Stability(I) |
| |
| Li Bao-Zong,Xu Wen-Guo,Qiu Shi-Lun,Pang Wen-Qin,Xu Ru-Ren. Simulated Calculation of High-Silica Zeolites Structure and Stability(I)[J]. Acta Physico-Chimica Sinica, 1998, 14(1): 45-50. DOI: 10.3866/PKU.WHXB19980109 |
| |
| Authors: | Li Bao-Zong Xu Wen-Guo Qiu Shi-Lun Pang Wen-Qin Xu Ru-Ren |
| |
| Affiliation: | Key Laboratory of Inorganic Synthesis Preparative Chemistry,Department of Chemistry,Jilin University,Changchun 130023|College of Chemical Engineering and Materials,Beijing Institute Technology,Beijing 100081 |
| |
| Abstract: | The lattice energy of a series of high-silica zeolites was determined using the lattice energy minimization method. The results were compared to the lattice energy of dense polymorphs of SiO2. All high-silica zeolites frameworks are only 30～67kJ•mol-1 less stable than α-quartz This may imply that there is little energy barrier to the formation of high-silica zeolites frame-works and explain the structural diversity observed for high-silica zeolites. The relationships of calculated lattice energies and framework Structures was disscussed. The results revealed a good linear relationship between framework density of these molecular sieves and all-silica framework lattice energies. |
| |
| Keywords: | High-silica zeolite Lattice energy minimization Lattice energy Framework density Structure and property |
|
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
|
点击此处可从《物理化学学报》下载全文 |
|
