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Revision and extension of the group contribution equation of state to new solvent groups and higher molecular weight alkanes
(Elsevier Science, 2000-07)
The group contribution equation of state GC-EOS model is revised and extended. Pure group and binary interaction parameters are reported for the following new groups: ether CH2O, ester CH2COO/CH3COO, chloro-aromatic ACCl ...
GROUP (FRAGMENT) CONTRIBUTION METHOD FOR PREDICTING THE BRAIN / BLOOD PARTITIONING OF ORGANIC COMPOUNDS
(Sociedad Chilena de Química, 2000)
Prediction of vapor pressure and heats of vaporization of edible oil/fat compounds by group contribution
(Elsevier Science BvAmsterdamHolanda, 2013)
Prediction of Viscosities of Fatty Compounds and Biodiesel by Group Contribution
(AMER CHEMICAL SOC, 2011)
In the present work, a group contribution method is proposed for the estimation of viscosity of fatty compounds and biodiesel esters as a function of the temperature. The databank used for regression of the group contribution ...
Poly(ethylene glycol) or poly(ethylene oxide)? magnitude of end-group contribution to the partitioning of ethylene oxide oligomers and polymers between water and organic phases
(Soc Brasileira QuimicaSao PauloBrasil, 2002)
Application of a group contribution equation of state to model the phase behavior of mixtures containing alkanes and ionic liquids
(Elsevier Science, 2015-02)
In this work, the group contribution equation of state (GC-EoS) of Skjold-Jørgensen was used to model the phase behavior of mixtures of alkanes with different members of the homologous family 1-alkyl-1-methylpyrrolidinium ...
Liquid-liquid equilibria of binary systems {benzene + [x-Mim][NTf2] ionic liquid}: Experimental data and thermodynamic modeling using a group contribution equation of state
(Elsevier Science, 2013-09-30)
Liquid–liquid equilibrium (LLE) data for binary mixtures {benzene (1) + ionic liquid (2)} were measured at atmospheric pressure from 293.15K to 333.15K. The ionic liquids (ILs) studied were 1-ethyl- and 1-hexyl-3-methylimidazolium ...
Prediction of heat capacities and heats of vaporization of organic liquids by group contribution methods
(Elsevier Science BvAmsterdamHolanda, 2009)
Phase behavior modeling of alkyl amine + hydrocarbon and alkyl amine + alcohol systems using a group contribution associating equation of state
(American Chemical Society, 2009-08)
In this work, a group contribution-associating equation of state namely GCA-EoS, is extended to model the phase behavior of alkyl amine + hydrocarbon and alkyl amine + alcohol systems while considering the association of ...
Prediction of physical properties for molecular design of solvents
(Elsevier Science, 2014-01)
An improved group contribution method is developed for the prediction of boiling points in the context of molecular design. Predictions are based exclusively on the molecular structure of the compound, and for this purpose, ...