天然气化工
天然氣化工
천연기화공
NATURAL GAS CHEMICAL INDUSTRY
2015年
1期
56-59
,共4页
碳酸乙烯酯%丁二酸二甲酯%聚丁二酸乙二醇酯预聚体%合成%热力学分析%基团贡献法
碳痠乙烯酯%丁二痠二甲酯%聚丁二痠乙二醇酯預聚體%閤成%熱力學分析%基糰貢獻法
탄산을희지%정이산이갑지%취정이산을이순지예취체%합성%열역학분석%기단공헌법
ethylene carbonate%dimethyl succinate%poly(ethylene glycol succinate) oligomer%synthesis%thermodynamic analysis%group contribution method
采用基团贡献法在433K~533K温度范围对碳酸乙烯酯与丁二酸二甲酯耦合制聚丁二酸乙二醇酯反应体系的4个可能的反应进行了反应焓变、反应熵变、反应吉布斯自由能变(ΔrGθ)及平衡常数(Kp)的计算。结果表明，反应(2)和(4)为放热反应，其ΔrGθ＜0可自发进行，升高温度不利于反应的进行，而反应(1)和(3)为吸热反应，其ΔrGθ＞0，反应不能自发进行。与反应(3)相比，反应(2)的平衡常数较大，反应更易进行。
採用基糰貢獻法在433K~533K溫度範圍對碳痠乙烯酯與丁二痠二甲酯耦閤製聚丁二痠乙二醇酯反應體繫的4箇可能的反應進行瞭反應焓變、反應熵變、反應吉佈斯自由能變(ΔrGθ)及平衡常數(Kp)的計算。結果錶明，反應(2)和(4)為放熱反應，其ΔrGθ＜0可自髮進行，升高溫度不利于反應的進行，而反應(1)和(3)為吸熱反應，其ΔrGθ＞0，反應不能自髮進行。與反應(3)相比，反應(2)的平衡常數較大，反應更易進行。
채용기단공헌법재433K~533K온도범위대탄산을희지여정이산이갑지우합제취정이산을이순지반응체계적4개가능적반응진행료반응함변、반응적변、반응길포사자유능변(ΔrGθ)급평형상수(Kp)적계산。결과표명，반응(2)화(4)위방열반응，기ΔrGθ＜0가자발진행，승고온도불리우반응적진행，이반응(1)화(3)위흡열반응，기ΔrGθ＞0，반응불능자발진행。여반응(3)상비，반응(2)적평형상수교대，반응경역진행。
The reaction enthalpy change, reaction entropy change, Gibbs free energy change(ΔrGθ) and equilibrium constants(Kp) of the four possible reactions for coupling of ethylene carbonate and dimethyl succinate to poly (ethylene glycol succinate) oligomers in the temperature range of 433 to 533K were calculated by using the group contribution method. Results showed that for reaction (2) and (4), they were exothermic, and their ΔrGθwere less than zero, so both of the reactions were spontaneous and high temperature was unfavorable. However, for reaction (1) and (3), they were endothermic, and their ΔrGθ were greater than zero, so both of the reactions were not spontaneous. The Kp for reaction (2) was greater than that for reaction (3), which indicated that the reaction (2) could be carried out more easily.
