Calculating Flash Point Numbers from Molecular Structure: An Improved Method for Predicting the Flash Points of Acyclic Alkanes

dc.creatorCARROLL, Felix A.
dc.creatorLIN, Chung-You
dc.creatorQUINA, Frank H.
dc.date.accessioned2012-10-20T05:22:52Z
dc.date.accessioned2018-07-04T15:48:53Z
dc.date.available2012-10-20T05:22:52Z
dc.date.available2018-07-04T15:48:53Z
dc.date.created2012-10-20T05:22:52Z
dc.date.issued2010
dc.identifierENERGY & FUELS, v.24, p.392-395, 2010
dc.identifier0887-0624
dc.identifierhttp://producao.usp.br/handle/BDPI/31114
dc.identifier10.1021/ef900883u
dc.identifierhttp://dx.doi.org/10.1021/ef900883u
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1627752
dc.description.abstractWe report a novel method for calculating flash points of acyclic alkanes from flash point numbers, N(FP), which can be calculated from experimental or calculated boiling point numbers (Y(BP)) with the equation N(FP) = 1.020Y(BP) - 1.083 Flash points (FP) are then determined from the relationship FP(K) = 23.369N(FP)(2/3) + 20.010N(FP)(1/3) + 31.901 For it data set of 102 linear and branched alkanes, the correlation of literature and predicted flash points has R(2) = 0.985 and an average absolute deviation of 3.38 K. N(FP) values can also be estimated directly from molecular structure to produce an even closer correspondence of literature and predicted FP values. Furthermore, N(FP) values provide a new method to evaluate the reliability of literature flash point data.
dc.languageeng
dc.publisherAMER CHEMICAL SOC
dc.relationEnergy & Fuels
dc.rightsCopyright AMER CHEMICAL SOC
dc.rightsrestrictedAccess
dc.titleCalculating Flash Point Numbers from Molecular Structure: An Improved Method for Predicting the Flash Points of Acyclic Alkanes
dc.typeArtículos de revistas


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