关键词: 乙炔氢氯化, 热力学, 反应器, 聚合, 模拟

Abstract: The thermodynamic property of acetylene hydrochlorination chloride reaction system，both main and side reactions，was calculated. The Gibbs reactor modules of Aspen 11.1，combined with the Sensitivity tool，was used to calculated the equilibrium yield rate in the three cases of single product，regardless of the polymerization reaction and with the consideration of the polymerization in 90— 420 ℃. The results show that，from the thermodynamics point of view，all the reactions are strong exothermic reaction and can occur spontaneously in the standard condition. For each independent reaction，the acetylene conversion rate can closely reach 100% below 210 ℃，and with the temperature growing the acetylene equilibrium conversion rate decreases，especially for the non-polymerization reaction. When considered with the non-polymerization side reactions，the yield rate of vinyl chloride can also reach more than 97%. However，the yield rate of vinyl chloride is only 0.6% when the polymerization reaction is counted in，while the yield rate of chloroprene reaches the highest. It is demonstrated that the vinyl chloride product can easily react with acetylene. Therefore，in the actual reactions，the vinyl chloride product shall be promptly removed and excessive acetylene should be avoided. The carbon catalyst deactivation factors should be considered and carbon deactivation should also be reduced.

Key words: acetylene hydrochlorination, thermodynamics, reactor, polymerization, simulation