摘要
在镍质裂解管中利用1-氯-1,1-二氟乙烷（HCFC-142b）空管裂解制备偏氟乙烯（VDF）,探究进料流量和裂解温度对原料转化率和产物选择性的影响.结果表明：裂解温度为550~600℃,进料流量为0.15~0.60mL/min时原料转化率较高,产物选择性较好,该工艺较适宜制备VDF.通过量子化学计算得到HCFC-142b脱HCl和脱HF反应过程的过渡态结构,计算600℃下脱HCl和脱HF反应的热力学数据和动力学数据,得到反应活化能为225.49和271.15kJ/mol,计算结果与文献值较为接近,说明该计算方法可靠.
Pyrolysis of 1-chloro-1,1-difluoroethane（HCFC-142b）to vinylidene fluoride（VDF）was carried out in nickel tube.The effects of pyrolysis temperature and feeding flow on the conversion of HCFC-142 b and the selectivity of VDF was investigated.Results showed that the process was suitable at 550-600 ℃and the feeding rate of 0.15-0.60mL/min,the conversion of HCFC-142 band the selectivity of VDF were acceptable.The transition state structures of hydrogen chloride elimination and hydrogen fluoride elimination reaction were obtained by quantum chemistry calculation.The thermodynamic data and dynamic data of these two reactions under 600 ℃ were calculated as 225.49 and 271.15kJ/mol.The calculation results of active energy were close to the reported data,indicating that the calculation method is reliable.
出处
《浙江大学学报（工学版）》
EI
CAS
CSCD
北大核心
2015年第9期1812-1816,共5页
Journal of Zhejiang University：Engineering Science
基金
浙江省重点科技创新团队计划资助项目(2011R50007)
关键词
1-氯-1
1-二氟乙烷
裂解
偏氟乙烯
量子化学
1-chloro-1
1-difluoroethane
pyrolysis
vinylidene fluoride（VDF）
quantum chemistry
