为寻找巯基乙酸甲酯化过程中可代替硫酸的催化剂,利用hyperchem 7.5软件在OPLS力场下,选用分子动力学方法模拟了超强酸类催化剂在不同温度条件下与巯基乙酸,甲醇的相互作用.经过计算得出势能数据分析,310～340K为其相互作用的适宜温度范围,SO4-2/TiO2为其反应较好的催化剂.
参考文献
| [1] | MATSUBARA Y;NAKAMURA T;Y0sHIHARA M et al.A novel method for the preparation of thioformates and thiols by using thioformimidates[J].Chemical and Pharmaceutical Bulletin,1982,30(09):3389-3391. |
| [2] | JIANG Hua;DIAO,Kai-sheng;PAN Ping-lai.Study on the stability of rhodium complex with uncoordinating donor and the property of catalysis[J].Chemical Journal on Internet,2000 |
| [3] | 俞善信;文瑞明;龙立平 .固体酸催化合成乳酸正丁醣[J].应用化工,2000,29(04):2-5. |
| [4] | 林昌志.巯基乙酸甲酯的合成研究[J].安徽化工,2004(03):26-27. |
| [5] | HINO M;ARATA K.Solid superacid form sulfuric acid and Zirmiun hydroxide for acetic with ales[J].Journal of the Chemical Society,Chemical Communications,1980(02):851-853. |
| [6] | ARATA K .Preparation of superacids by met al oxides for resctions of butanes and pentanes[J].Applied Catalysis A:General,1996,146(01):3-6. |
| [7] | MORTERRA C;CERRATO G;SIGNORETTO M .On the role of the calcination step in the preparation of active(superacid)sulfated zirconia catalysts[J].Catalysis Letters,1996,41(1-2):101-104. |
| [8] | 姚胜.SO4-2/MxOy型固体超强酸催化剂[J].化学通报(印刷版),1990(02):23-28. |
| [9] | 曾健青;罗庆云;王琴 等.SO4-2/MxOy型固体超强酸催化剂的研究进展[J].石油化工,1994,23(03):191-197. |
| [10] | 汪显阳.固体超强酸S2O82-/TiO2-ZrO2催化合成对羟基苯甲酸正丁酯[J].精细石油化工进展,2004(05):42-45. |
| [11] | 朱志飞,徐祖民,宁婷婷,王正武,张革新,马延和.黄粉虫α-淀粉酶与抑制剂相互作用的分子动力学模拟[J].计算机与应用化学,2007(08):1029-1032. |
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