Prediction of the Net Heats of Combustion of Organic Halogenated Compounds based on the Atomic Contribution Method

원자기여법에 근거한 유기 할로겐 화합물의 순연소열 예측

  • Published : 2003.12.01

Abstract

The heat of combustion is one of the major physical properties used to determine the fire and explosion hazards of the flammable substances. Empirical equations have been developed to pre-dict the net heats of combustion of organic halogenated compounds based on the atomic contribution method. The method developed in this study was compared with Cardozo's method and Hanley's method. As can be seen from the average absolute deviation(A.A.D.), the proposed equation was found to be best. The proposed equation may serve as an estimation scheme for the heats of combustion of the other organic halogenated compounds.

연소열은 인화성 물질의 화재$.$폭발 위험성을 결정하는 주요한 물성치이다. 할로겐화 유기화합물의 순연소열을 예측하기 위해서, 원자기여법에 기반을 둔 경험식들이 개발되어 왔다. 본 연구에 개발된 경험식을 Cardozo와 Hanley의 경험식들과 비교해 보았다. A.A.D.를 보면 알 수 있듯이 본 연구에서 제안된 경험식으로 계산된 값이 실험값에 가장 근접해 있음을 확인하였다. 따라서, 본 연구에서 제안된 경험식은 여타 할로겐화 유기화합물의 연소열을 예측하는데 도움을 줄 것으로 사료된다.

Keywords

References

  1. A. A. Kline, et al., 'An Overview of Compiling, Critically Evaluating, and Delivering Reliable Physical Property Data from AICHE DIPPR Project 911 and 912', Fluid Phase Equilibria, Vol. 150-151, pp.421-428(1998) https://doi.org/10.1016/S0378-3812(98)00342-2
  2. R. C. Reid, J. M. Prausnitz, and B. Z. Poling, 'The Properties of Gases of Liquid', 4th ed., McGraw Hill(1988)
  3. M. Balcan, S. Arzik, and T. Altunata, 'The Determination of the Heats of Combustion and Resonance Energies of Some Substituted Naphthalenes', Thermochemica Acta., Vol. 279, pp.49-56(1996)
  4. T. Suzuki, 'Empirical Relationship Between Lower Flammability Limits and Standard Enthalpies of Combustion of Organic Compounds', Fire and Material, Vol. 18, pp.333-336(1994) https://doi.org/10.1002/fam.810180509
  5. F. Y. Hshieh, 'Predicting Heats of Combustion and Lower Flammability Limits of Organosilicon Compounds', Fire and Materials, Vol. 23, pp.79-89(1999) https://doi.org/10.1002/(SICI)1099-1018(199903/04)23:2<79::AID-FAM673>3.0.CO;2-F
  6. R. H. Perry, and G. W Green, 'Perry's Chemical Engineers' Handbook', 7th Edition, McGraw-Hill, New York(1997)
  7. Lide, D. R., 'Handbook of Chemistry and Physics', 76th Edition, CRC Press, Boca Raton(1995)
  8. R. D. Cardozo, 'Prediction of the Enthalpy of Combustion of Organic Compounds', AICHE Journal, Vol. 32, No.5, pp.844-847(1986) https://doi.org/10.1002/aic.690320514
  9. B. Hanley, 'A Model for the Calculation and the Verification of Closed Cup Flash Points for Multicomponent Mixtures', Process Safety Progress, Vol. 17, No.2, pp.86-97(1998) https://doi.org/10.1002/prs.680170204
  10. G. E. P. Box, and N. R. Draper, 'Empirical Model-Building and Response Surface', John-Wiley & Sons, Inc.(1987)
  11. D. G. Kleinbaum, L. L. Kuper, and K. E. Muller, 'Applied Regression Analysis and Other Multivariable Methods', 2nd ed., PWS-KENT Publishing Co.(1988)
  12. J. C. Park, D. M. Ha, and M. G. Kim, "Modified Response Surface Methodology(MRSM) for Phase Equilibrium. - Theoretical Background', Korean J. of Chemical Engineering, Vol. 13, No. 2, pp.115-122(1996) https://doi.org/10.1007/BF02705897
  13. D. M. Ha, 'A study on Explosive Limits of Flammable Materials', Journal of Korean Institute of Industrial Safety, Vol. 14, No.1, pp.93-100(1999)
  14. D. M. Ha, Y. C. Choi, and S. J. Lee, 'The Lower Flash Points of the n-Butanol+n-Decane System', T. of Korea Institute of Fire Sci. & Eng., Vol. 17, No.2, pp.50-55(2003)