A SIMPLE METHOD FOR PREDICTION OF THE FLASH POINT OF MONOTERPENES
DOI:
https://doi.org/10.4314/jfas.v12i1.6Keywords:
Monoterpenes;, Group-interaction contribution approach;, Goup contribution;, Flash point(Fp);, PredictionAbstract
The flash point(Fp) is very important physical property used to estimate the risk of fire and fire hazard of a flammable to avoid the occurrence of fire or explosion, Monoterpenes are a class of terpenes, They have relevance to the pharmaceutical, cosmetic, agricultural, food industries and product principle of compounds volatile, and cause augment ignition the fire .In this papier, a group contribution and a group-interaction contribution approach are proposed to predict the flash point(Fp) of Monoterpenes compounds, A comprehensive database of 259 composes type monoterpenes, The best performance was observed for group-interaction contribution approach, with an average absolute relative deviation of 1.43% and a correlation coefficient of 0.906 Results also show that both models represent simple and reliable approaches for the estimation of the flash point(Fp).
Downloads
Download data is not yet available.
References
[1]/ Gonçalves A. C. and Adélia M.O. S.. The Fire in the Mediterranean Region: A Case Study of Forest Fires in Portugal, Mediterranean Identities - Environment, Society, Culture, Borna Fuerst-Bjelis, IntechOpen, 2017. DOI: 10.5772/intechopen.269410. Available from:https://www.intechopen.com/books/mediterranean-identities-environment-society-culture/the-fire-in-the-mediterranean-region-a-case-study-of-forest-fires-in-Portugal
[2]/ Virpi Lindfors and Tuomas Laurila, Biogenic volatile organic compound (VOC)
emissions from forests in Finland, BOREAL ENVIRONMENT RESEARCH 5: 95–113,2000
[3]/ Virpi L. and Tuomas L., Biogenic volatile organic compound (VOC) emissions from forests in Finland. Boreal Env. Res. 5: 95–113. ISSN 1239-6095
[4]/ Courty L., Chetehouna K., Leme´e L., Fernandez-Pello C. and Garo J.-P., Biogenic volatile organic compounds emissions at high temperatures of common plants from Mediterranean regions affected by forest fires, Journal of Fire Sciences, 2014, 32(5) 459–479
[5]/ Duan X. Li, P. P., Sun K.N., and Yan X., Prediction of the Flash Point of Binary and Ternary Straight-Chain Alkane Mixtures, Hindawi Publishing Corporation Advances in Materials Science and Engineering, 2014, 5 http://dx.doi.org/10.1155/2014/239023,
[6]/ Han K .J. and In, S.J.,The Measurement and Prediction of Flash Point for Binary Mixtures {C1~ C3 Alcohols + p-Xylene} at 101.3 kPa. Open Journal of Safety Science and Technology, 2017,7, 1-10. https://doi.org/10.4236/ojsst.2017.71001
[7 ]/ Chen C.-P., Chen C.-C., and Hsu-Fang Chen, Predicting Flash Point of Organosilicon Compounds Using Quantitative Structure Activity Relationship Approach, Hindawi Publishing Corporation Journal of Chemistry, 2014, http://dx.doi.org/10.1155/2014/482341
[8 ]/ Gharagheizi F. and Alamdari R. F., Prediction of flash point temperature of pure components using a quantitative structureproperty relationshipmodel, QSAR and Combinatorial Science, 2008, 27, 6, 679–683.
[9 ]/ Gharagheizi F., Ilani-Kashkouli P.,Seyyed Mirkhani A.,and Mohammadi A. H., Computation of Upper Flash Point of Chemical Compounds Using a Chemical Structure-Based Model, Ind. Eng. Chem. Res. 2012, 51, 5103−5107
[ 10]/ Rowley J. R., Freeman D. K. , Rowley R. L., Oscarson J. L., Giles N. F. , Wilding W. V., Flash Point: Evaluation, Experimentation and Estimation,Int J Thermophys, 2010,31,875–887
[11]/ chemicalland21.com /03.02.2016
[12]/ www.pubchem.ncbi.nlm.gov/ 03.02.2016
[13]/ www.chemicalbook.com/27.01.2016
[14]/ www.chemnet.com/20.01.2016
[15]/ http://www.thegoodscentscompany.com/20.01.2016
[16]/Mokadem K., Korichi M., Group-Interaction Contribution Approach for Prediction of Electrochemical Properties of Ionic Liquids, Computer Aided Chemical Engineering, 2016, 38, 451-456. http://dx.doi.org/10.1016/B978-0-444-63428-3.50080-1.
[17]/Marrero‐Morejón J., Pardillo‐Fontdevila E., Estimation of pure compound properties using group‐interaction contributions, AIChE j., 1999,45, 615-621.
[18]/Mokadem K., Korichi M., Tumba K., An enhanced group-interaction contribution method for the prediction of glass transition temperature of ionic liquids”, Original Research Article, Fluid Phase Equilibria, 2016, 425, 259-268. http://dx.doi.org/10.1016/j.fluid.2016.06.015.
[19]/Mokadem K., Korichi M., Tumba K., A new group-interaction contribution method to predict the thermal decomposition temperature of ionic liquids, Chemometrics and Intelligent Laboratory Systems, 2016, 157, 189-195. http://dx.doi.org/10.1016/j.chemolab.2016.08.001
[2]/ Virpi Lindfors and Tuomas Laurila, Biogenic volatile organic compound (VOC)
emissions from forests in Finland, BOREAL ENVIRONMENT RESEARCH 5: 95–113,2000
[3]/ Virpi L. and Tuomas L., Biogenic volatile organic compound (VOC) emissions from forests in Finland. Boreal Env. Res. 5: 95–113. ISSN 1239-6095
[4]/ Courty L., Chetehouna K., Leme´e L., Fernandez-Pello C. and Garo J.-P., Biogenic volatile organic compounds emissions at high temperatures of common plants from Mediterranean regions affected by forest fires, Journal of Fire Sciences, 2014, 32(5) 459–479
[5]/ Duan X. Li, P. P., Sun K.N., and Yan X., Prediction of the Flash Point of Binary and Ternary Straight-Chain Alkane Mixtures, Hindawi Publishing Corporation Advances in Materials Science and Engineering, 2014, 5 http://dx.doi.org/10.1155/2014/239023,
[6]/ Han K .J. and In, S.J.,The Measurement and Prediction of Flash Point for Binary Mixtures {C1~ C3 Alcohols + p-Xylene} at 101.3 kPa. Open Journal of Safety Science and Technology, 2017,7, 1-10. https://doi.org/10.4236/ojsst.2017.71001
[7 ]/ Chen C.-P., Chen C.-C., and Hsu-Fang Chen, Predicting Flash Point of Organosilicon Compounds Using Quantitative Structure Activity Relationship Approach, Hindawi Publishing Corporation Journal of Chemistry, 2014, http://dx.doi.org/10.1155/2014/482341
[8 ]/ Gharagheizi F. and Alamdari R. F., Prediction of flash point temperature of pure components using a quantitative structureproperty relationshipmodel, QSAR and Combinatorial Science, 2008, 27, 6, 679–683.
[9 ]/ Gharagheizi F., Ilani-Kashkouli P.,Seyyed Mirkhani A.,and Mohammadi A. H., Computation of Upper Flash Point of Chemical Compounds Using a Chemical Structure-Based Model, Ind. Eng. Chem. Res. 2012, 51, 5103−5107
[ 10]/ Rowley J. R., Freeman D. K. , Rowley R. L., Oscarson J. L., Giles N. F. , Wilding W. V., Flash Point: Evaluation, Experimentation and Estimation,Int J Thermophys, 2010,31,875–887
[11]/ chemicalland21.com /03.02.2016
[12]/ www.pubchem.ncbi.nlm.gov/ 03.02.2016
[13]/ www.chemicalbook.com/27.01.2016
[14]/ www.chemnet.com/20.01.2016
[15]/ http://www.thegoodscentscompany.com/20.01.2016
[16]/Mokadem K., Korichi M., Group-Interaction Contribution Approach for Prediction of Electrochemical Properties of Ionic Liquids, Computer Aided Chemical Engineering, 2016, 38, 451-456. http://dx.doi.org/10.1016/B978-0-444-63428-3.50080-1.
[17]/Marrero‐Morejón J., Pardillo‐Fontdevila E., Estimation of pure compound properties using group‐interaction contributions, AIChE j., 1999,45, 615-621.
[18]/Mokadem K., Korichi M., Tumba K., An enhanced group-interaction contribution method for the prediction of glass transition temperature of ionic liquids”, Original Research Article, Fluid Phase Equilibria, 2016, 425, 259-268. http://dx.doi.org/10.1016/j.fluid.2016.06.015.
[19]/Mokadem K., Korichi M., Tumba K., A new group-interaction contribution method to predict the thermal decomposition temperature of ionic liquids, Chemometrics and Intelligent Laboratory Systems, 2016, 157, 189-195. http://dx.doi.org/10.1016/j.chemolab.2016.08.001
Downloads
Published
2019-12-17
How to Cite
MOKADEM, K.; MOKADEM, M.; BENZAHI, K.; ABED, A. S.; TUMBA, K.; KORICHI, M.; BENCHIKH, I.; BELFAR, M. L. A SIMPLE METHOD FOR PREDICTION OF THE FLASH POINT OF MONOTERPENES. Journal of Fundamental and Applied Sciences, [S. l.], v. 12, n. 1, p. 73–85, 2019. DOI: 10.4314/jfas.v12i1.6. Disponível em: https://jfas.info/index.php/JFAS/article/view/499. Acesso em: 30 jan. 2025.
Issue
Section
Articles
Submissions
