CAJ | 학술논문

对乙炔氢氯化反应体系主反应与副反应的热力学性质进行了计算。采用Aspen Plus11.1中的Gibbs反应器模块并结合 Sensitivity 工具对单一产物、不考虑聚合反应与考虑聚合反应3种情况下各产物在90～420℃下的平衡收率进行计算。结果表明：从热力学角度讲，各反应均为强放热反应，标准状态下能自发进行；210℃以下各反应单独进行时均能达到接近100%的转化率，随温度升高，各反应乙炔平衡转化率逐渐降低且非聚合副反应降低的最快；当考虑非聚合副反应时，氯乙烯收率仍能达到97%以上；但当考虑聚合反应时，氯乙烯收率最高仅为0.6%，主要生成氯丁二烯。表明生成的氯乙烯容易与乙炔发生串联聚合，实际反应过程中应及时将氯乙烯移除，并避免乙炔过量。反应过程中应考虑催化剂的积炭失活因素，降低积炭。
대을결경록화반응체계주반응여부반응적열역학성질진행료계산。채용Aspen Plus11.1중적Gibbs반응기모괴병결합 Sensitivity 공구대단일산물、불고필취합반응여고필취합반응3충정황하각산물재90～420℃하적평형수솔진행계산。결과표명：종열역학각도강，각반응균위강방열반응，표준상태하능자발진행；210℃이하각반응단독진행시균능체도접근100%적전화솔，수온도승고，각반응을결평형전화솔축점강저차비취합부반응강저적최쾌；당고필비취합부반응시，록을희수솔잉능체도97%이상；단당고필취합반응시，록을희수솔최고부위0.6%，주요생성록정이희。표명생성적록을희용역여을결발생천련취합，실제반응과정중응급시장록을희이제，병피면을결과량。반응과정중응고필최화제적적탄실활인소，강저적탄。
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.