Documents disponibles écrits par cet auteur

Development of a simple method to predict boiling points and flash points of acyclic alkenes / Felix A. Carroll in Industrial & engineering chemistry research, Vol. 50 N° 24 (Décembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14221–14225 Titre : Development of a simple method to predict boiling points and flash points of acyclic alkenes Type de document : texte imprimé Auteurs : Felix A. Carroll, Auteur ; Justin M. Godinho, Auteur ; Frank H. Quina, Auteur Année de publication : 2012 Article en page(s) : pp. 14221–14225 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Boiling  point Résumé : Boiling points (TB) of acyclic alkenes are predicted from their boiling point numbers (YBP)witfa the relationship TB(K) = ―16.802YBP2/3 + 337.377YBP1/3― 437.883. In turn, YBP values are calculated from structure using the relationship YBF = Oi + 1.726 + 2.779C + 1.716M3 + 1.564M + 4.204E3 + 3.905E ― 0.329D + 0.241G + 0.479V+ 0.967T+ 0.574S. Here Oi is a parameter that depends on the substitution pattern of the alkene, while the rest of the equation is the same as that reported earlier for calculating the YBP values of alkanes. For a data set consisting of 250 acyclic alkenes having from 6 to 36 carbon atoms, the average absolute deviation between literature TB values and those predicted with these equations was 1.29 K, and the R2 of the correlation was 0.999. In addition, the calculation of boiling points by this method provides a useful means to predict the flash points of alkenes from structure. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299894 [article] Development of a simple method to predict boiling points and flash points of acyclic alkenes [texte imprimé] / Felix A. Carroll, Auteur ; Justin M. Godinho, Auteur ; Frank H. Quina, Auteur . - 2012 . - pp. 14221–14225. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp. 14221–14225 Mots-clés : Boiling  point Résumé : Boiling points (TB) of acyclic alkenes are predicted from their boiling point numbers (YBP)witfa the relationship TB(K) = ―16.802YBP2/3 + 337.377YBP1/3― 437.883. In turn, YBP values are calculated from structure using the relationship YBF = Oi + 1.726 + 2.779C + 1.716M3 + 1.564M + 4.204E3 + 3.905E ― 0.329D + 0.241G + 0.479V+ 0.967T+ 0.574S. Here Oi is a parameter that depends on the substitution pattern of the alkene, while the rest of the equation is the same as that reported earlier for calculating the YBP values of alkanes. For a data set consisting of 250 acyclic alkenes having from 6 to 36 carbon atoms, the average absolute deviation between literature TB values and those predicted with these equations was 1.29 K, and the R2 of the correlation was 0.999. In addition, the calculation of boiling points by this method provides a useful means to predict the flash points of alkenes from structure. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25299894

Simple method to evaluate and to predict flash points of organic compounds / Felix A. Carroll in Industrial & engineering chemistry research, Vol. 50 N° 8 (Avril 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 8 (Avril 2011) . - pp. 4796–4800 Titre : Simple method to evaluate and to predict flash points of organic compounds Type de document : texte imprimé Auteurs : Felix A. Carroll, Auteur ; Chung-Yon Lin, Auteur ; Frank H. Quina, Auteur Année de publication : 2011 Article en page(s) : pp. 4796–4800 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Organic  compounds Résumé : Flash points (TFP) of organic compounds are calculated from their flash point numbers, NFP, with the relationship TFP = 23.369NFP2/3 + 20.010NFP1/3 + 31.901. In turn, the NFP values can be predicted from boiling point numbers (YBP) and functional group counts with the equation NFP = 0.974YBP + ∑i niGi + 0.095 where Gi is a functional group-specific contribution to the value of NFP and ni is the number of such functional groups in the structure. For a data set consisting of 1000 diverse organic compounds, the average absolute deviation between reported and predicted flash points was less than 2.5 K. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1021283 [article] Simple method to evaluate and to predict flash points of organic compounds [texte imprimé] / Felix A. Carroll, Auteur ; Chung-Yon Lin, Auteur ; Frank H. Quina, Auteur . - 2011 . - pp. 4796–4800. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 8 (Avril 2011) . - pp. 4796–4800 Mots-clés : Organic  compounds Résumé : Flash points (TFP) of organic compounds are calculated from their flash point numbers, NFP, with the relationship TFP = 23.369NFP2/3 + 20.010NFP1/3 + 31.901. In turn, the NFP values can be predicted from boiling point numbers (YBP) and functional group counts with the equation NFP = 0.974YBP + ∑i niGi + 0.095 where Gi is a functional group-specific contribution to the value of NFP and ni is the number of such functional groups in the structure. For a data set consisting of 1000 diverse organic compounds, the average absolute deviation between reported and predicted flash points was less than 2.5 K. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1021283