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Development of corresponding states model for estimation of the surface tension of chemical compounds
Author(s) -
Gharagheizi Farhad,
Eslamimanesh Ali,
Sattari Mehdi,
Mohammadi Amir H.,
Richon Dominique
Publication year - 2013
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.13824
Subject(s) - acentric factor , surface tension , boiling point , thermodynamics , volume (thermodynamics) , absolute deviation , reduced properties , relative standard deviation , chemistry , data point , mathematics , statistical physics , statistics , physics , detection limit
The gene expression programming (GEP) strategy is applied for presenting two corresponding states models to represent/predict the surface tension of about 1,700 compounds (mostly organic) from 75 chemical families at various temperatures collected from the DIPPR 801 database. The models parameters include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four‐parameter model) and about 20,000 data related to around 1,600 compounds are applied for checking its prediction capability. For the second one (a five‐parameter model), about 10,000 random data are applied for its development, and 11,000 data are used for testing its prediction ability. The statistical parameters including average absolute relative deviations of the results form dataset values (25 and 18% for the first and second models, respectively) demonstrate the accuracy of the presented models. © 2012 American Institute of Chemical Engineers AIChE J, 59: 613–621, 2013