• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文会议>International Zeolite Conference pt.C; 20040425-30; Cape Town(ZA) >INFLUENCE OF ZEOLITE PORE STRUCTURE ON BENZENE PROPYLATION TO iso--PROPYLBENZENE
【24h】

INFLUENCE OF ZEOLITE PORE STRUCTURE ON BENZENE PROPYLATION TO iso--PROPYLBENZENE

机译：沸石孔结构对苯丙化为异/正丙苯的影响

获取原文
获取原文并翻译 | 示例
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The isomerization of cumene (isopropylbenzene, i-PB) to n-propylbenzene (n-PB), considered to proceed via a 1,2-diphenylpropane intermediate (1), was studied by theoretical and experimental methods to investigate the importance of shape selectivity effects for different zeolites. The location and energetics of 1, and also of the intermediate 2,2-diphenylpropane (2) involved in transalkylation of i-PB, were determined by molecular mechanics and dynamics calculations to evaluate the influence of the pore architecture on the two reactions. Only zeolites with 1D linear channel systems (e.g. MTT, MTW) were predicted to preferentially stabilize intermediate 1 with respect to 2, while limited differences were observed for 3D interconnected porous systems (e.g. ~*BEA, MOR, MFI, FAU). Preliminary in-situ ~(13)C NMR studies (without MAS) of benzene and cumene (3:1) adsorbed on H~+ form zeolites found n-PB production (at 473 K) to increase as: Beta < ZSM-5 (MFI) < USY (FAU) ≈ ERB-1 (MWW) < MOR.
机译：通过理论和实验方法研究了异丙苯（异丙基苯，i-PB）异构化为正丙基苯（n-PB）的方法，该方法被认为是通过1,2-二苯基丙烷中间体（1）进行的，以研究形状选择性的重要性不同沸石的效果。通过分子力学和动力学计算来确定1以及参与i-PB烷基转移的中间体2,2-二苯丙烷（2）的位置和能量，以评估孔结构对这两个反应的影响。预测只有具有1D线性通道系统的沸石（例如MTT，MTW）相对于2优先稳定中间体1，而3D互连多孔系统（例如〜* BEA，MOR，MFI，FAU）的差异有限。在H〜+型沸石上吸附的苯和枯烯（3：1）的初步原位（13）C NMR研究（无MAS）发现，n-PB产量（在473 K下）增加为：Beta

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