• Title/Summary/Keyword: 화용적 제약

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Prediction of Phase Behavior of ε-caprolactam Derivatives and Carbon Dioxide using a Group Contribution Method (그룹 기여 방법을 이용한 ε-caprolactam 유도체와 이산화탄소의 상거동 예측에 관한 연구)

  • Kwon, Soyoung;Bae, Won;Lee, Kyoungwon;Kim, Hwayong
    • Clean Technology
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    • v.11 no.3
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    • pp.117-122
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    • 2005
  • N-vinyl caprolactam (NVCL), a kind of N-vinyl amide monomer, must be dissolved in continuous phase ($scCO_2$) for dispersion polymerization in supercritical carbon dioxide. Phase behavior of $CO_2$+NVCL is very important and necessary for determining initial polymerization condition and for monomer extraction from final polymer. There is the limitation of experimental method for obtaining pure properties of the monomer because of the possibility of polymerization. And N-methyl caprolactam (NMCL) is the useful solvent for the gas treating process. In the viewpoint of molecular thermodynamics, NVCL and NMCL have same functional group i.e. ${\varepsilon}$-caprolactam. In the case of NVCL, hydrogen of amide group is substituted with vinyl group and for NMCL, hydrogen of amide group is substituted with methyl group. We suggested modified group contribution method for this ${\varepsilon}$-caprolactam derivatives. This new group contribution parameter was applied to correlate $CO_2$ + N-vinyl caprolactam or N-methyl caprolactam system.

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