Prediction of physical properties of hydrocarbons, petroleum, and coal liquid fractions

Retzekas, E; Voutsas, E; Magoulas, K; Tassios, D

dc.contributor.author	Retzekas, E	en
dc.contributor.author	Voutsas, E	en
dc.contributor.author	Magoulas, K	en
dc.contributor.author	Tassios, D	en
dc.date.accessioned	2014-03-01T01:18:14Z
dc.date.available	2014-03-01T01:18:14Z
dc.date.issued	2002	en
dc.identifier.issn	0888-5885	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/14881
dc.subject	Physical Properties	en
dc.subject.classification	Engineering, Chemical	en
dc.subject.other	Boiling point	en
dc.subject.other	Coal liquefaction	en
dc.subject.other	Crude petroleum	en
dc.subject.other	Data reduction	en
dc.subject.other	Density of liquids	en
dc.subject.other	Error analysis	en
dc.subject.other	Molecular structure	en
dc.subject.other	Molecular weight	en
dc.subject.other	Pressure effects	en
dc.subject.other	Thermal effects	en
dc.subject.other	Hydrocarbons	en
dc.subject.other	coal	en
dc.subject.other	hydrocarbon	en
dc.subject.other	petroleum	en
dc.subject.other	coal	en
dc.subject.other	gasoline	en
dc.subject.other	hydrocarbon	en
dc.subject.other	physical property	en
dc.subject.other	prediction	en
dc.subject.other	analytic method	en
dc.subject.other	article	en
dc.subject.other	correlation analysis	en
dc.subject.other	density	en
dc.subject.other	molecular weight	en
dc.subject.other	physical parameters	en
dc.subject.other	prediction	en
dc.subject.other	pressure	en
dc.subject.other	reliability	en
dc.subject.other	structure analysis	en
dc.title	Prediction of physical properties of hydrocarbons, petroleum, and coal liquid fractions	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ie010642a	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ie010642a	en
heal.language	English	en
heal.publicationDate	2002	en
heal.abstract	A simple method that uses the molecular structure and density as input parameters for the prediction of the normal boiling point (Tb), critical temperature (Tc), and critical pressure (Pc) of pure hydrocarbons is presented. For Tb the average absolute error is 1.0% as compared to 3.3% for the Joback method and 2.9% for that of Stein and Brown. Its main advantage over the first method lies with large molecular weight compounds and that over the second with highly branched compounds. For the prediction of Tc, the average absolute error is 1% similar to that of the Joback, Riazi, and Riazi-Daubert methods which, however, require knowledge of Tb. Finally, for Pc, the proposed method gives an average absolute error of 2.7% as compared to 3.9% for the Joback method and 4.2% and 4.8% for the Tb-requiring methods of Riazi and Riazi-Daubert, respectively. The proposed method gives also better results for these three properties when compared to the recently proposed and more difficult to use group interaction contribution method of Marejon and Fontevila. Using data for pure hydrocarbons, correlations have been developed for the prediction of molecular weight (MW), Tc, and Pc of petroleum and coal liquid fractions. MW prediction gives an average absolute error of 4.1% as compared to 4.6% for the Riazi-Daubert method, and both methods provide better results for coal liquids than the Starling and ""single-parameter"" expressions. Tc and Pc predictions with errors of 1.2% and 5.5% are similar to those of the Riazi-Daubert method, but no conclusion can be reached about the reliability of these methods because of the small number of available data.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Industrial and Engineering Chemistry Research	en
dc.identifier.doi	10.1021/ie010642a	en
dc.identifier.isi	ISI:000174475800036	en
dc.identifier.volume	41	en
dc.identifier.issue	6	en
dc.identifier.spage	1695	en
dc.identifier.epage	1702	en