高等学校化学学报 ›› 1986, Vol. 7 ›› Issue (10): 931.

• 研究论文 • 上一篇    下一篇

模拟硅铝催化剂上表面酸的研究(Ⅰ)—Lewis酸及Lewis酸和Bronsted酸之间的转变

封继康, 李志儒, 李松, 李荣生   

  1. 吉林大学化学系
  • 收稿日期:1985-05-24 出版日期:1986-10-24 发布日期:1986-10-24

A Study of Surface Acid on Mimic Silica Alumina Catalyst(Ⅱ)—Lewis Acid and the Conversion Between Lewis Acid and Bronsted Acid

Feng Jikang, Li Zhiru Li Song, Li Rongsheng   

  1. Department of Chemistry Jilin University, Chagnchun
  • Received:1985-05-24 Online:1986-10-24 Published:1986-10-24

摘要: 用EHMO方法,对硅胶及其渗入氧化铝改性的无定形硅铝催化剂的表面酸进行了模拟计算,研究了取代不同数目、不同位置的Al模拟催化剂上L酸强度变化及L酸转变为B酸的机理。计算表明氧化铝在催化剂中含量对L酸强度的影响很小。阐述了B酶活性的本质。计算结果同L酸量测定及光电子能谱的实验结果符合。

Abstract: In this article,by applying EHMOmethod a scries of mimic calculations have been performed for the surface acid of silica and silica-alumina catalyst formed by adding aluminium oxide in silica gel.We have studied the change of Lewis acid strength of mimic catalysts in which silicon have been substituted by aluminium in different position and number.The micromechanism of conversion between Lewis and Bronsted acid also has been studied.The calculations show thai the amount of aluminium in catalyst have a very little influence upon the strength of Lewis acid,even if Al-O-Al structure is formed the Lewis acid strcngth decreased only a little.Then we show theoretically the mechanism of conversion between Lewis acid and Bronsted acid and the nature of Bronsted acidity.Aseries of results from theoretical calculations are in accordace with the experimental results of measurements of Lewis acid and photoelectron spectroscopy.

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