CAJ | 학술논문

以醋酸汞为催化剂，在乙炔空速（152~164）h-1、冰醋酸用量20 mL、常压和85℃条件下，均相催化反应4 h合成醋酸乙烯，产率仅约3.5%。实验得出最优化醋酸汞用量为10 mmol，在最优化条件下探索了离子液体1-乙基-3-甲基咪唑醋酸盐（[ emim]OAc）作为助剂改善均相催化体系对醋酸乙烯产率和选择性的影响。[ emim ]OAc 加入量为15 mmol 时，醋酸乙烯产率提高至16.5%，选择性达80.7%。密度泛函数理论模拟计算得出离子液体的加入能促进乙炔分子的C C键和键角发生变化，证明其有助于活化乙炔分子。傅里叶红外光谱和差热热重分析经过洗涤的反应沉淀物，发现离子液体很容易被洗掉。
이작산홍위최화제，재을결공속（152~164）h-1、빙작산용량20 mL、상압화85℃조건하，균상최화반응4 h합성작산을희，산솔부약3.5%。실험득출최우화작산홍용량위10 mmol，재최우화조건하탐색료리자액체1-을기-3-갑기미서작산염（[ emim]OAc）작위조제개선균상최화체계대작산을희산솔화선택성적영향。[ emim ]OAc 가입량위15 mmol 시，작산을희산솔제고지16.5%，선택성체80.7%。밀도범함수이론모의계산득출리자액체적가입능촉진을결분자적C C건화건각발생변화，증명기유조우활화을결분자。부리협홍외광보화차열열중분석경과세조적반응침정물，발현리자액체흔용역피세도。
Using mercury acetate as the catalyst in homogeneous process,vinyl acetate was synthesized under the condition of acetic acid amount 20 mL,acetylene space velocity(152-164)h-1,atmosphere pressure,reaction temperature 85 ℃ and reaction time 4 h. The effect of Hg( OAc)2 amount was investi-gated. The vinyl acetate yield of 3. 5% was attained when Hg(OAc)2 optimal dosage was 10 mmol. Then the effects of molar ratio of ionic liquid[ emim]OAc to Hg( OAc)2 on the yield of vinyl acetate and the selectivity to vinyl acetate were studied. The results showed that[ emim]OAc and Hg( OAc)2 were effi-cient catalysts for catalytic synthesis of vinyl acetate from acetylene with vinyl acetate yield of 16 . 5% and the selectivity to vinyl acetate of 80. 7% while[ emim]OAc dosage was 15 mmol{n([ emim]OAc):n[Hg(OAc)2]=1.5}. Density functional theory(DFT)calculations indicated that bond lengths and angles of CC in C2 H2 were changed due to the molecular interaction between catalytic systems and C2 H2 ,resulted in the activation of C2 H2 molecules and improved the experiment effect. The precipitate formed during reaction after washing was analyzed by FT-IR and DTG,and it was found that ionic liquid in the precipitate was washed away easily.