Reaction Kinetics between a Cycloaliphatic Diisocyanate(H12MDI) and n-Hexanol

환상지방족 Isocyanate(H12MDI)와 n-Hexanol의 반응속도론

  • Kim, Taehoon (Department of Chemical Engineering, Pusan National University) ;
  • park, Sungyurb (Department of Chemical Engineering, Pusan National University) ;
  • Park, Sunghoon (Department of Chemical Engineering, Pusan National University)
  • 김태훈 (부산대학교 공과대학 화학공학과) ;
  • 박성엽 (부산대학교 공과대학 화학공학과) ;
  • 박성훈 (부산대학교 공과대학 화학공학과)
  • Received : 1998.07.28
  • Accepted : 1998.09.14
  • Published : 1998.12.10

Abstract

Reaction kinetics between 4,4'-dihexyl methane diisocyanate($H_{12}MDI$) and n-hexanol in toluene with dibutyltin dilaurate(DBTDL) as catalyst was studied by experimental measurements and mathematical modeling. Experiments were carried out at various temperatures, catalyst concentrations and [NCO]/[OH] ratios, and the reaction kinetics were described by two second-order reactions, the one between NCO and OH leading to urethane and the other between urethane and NCO leading to allophanate. The rate constants were estimated by the Runge-Kutta 4th-order method. Experiments and mathematical simulations showed a good agreement for various experimental conditions. The [allophanate]/[urethane] ratios at 90% conversion of initial NCO were estimated to be over 20% for most conditions employed in the present study, indicating that allophanate formation might significantly affect the properties of urethane polymers.

Acknowledgement

Grant : 지역센터 지원과제

Supported by : 한국생산기술연구원

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