Solubilities of anthracene, fluoranthene and pyrene in organic solvents: Comparison of calculated values using UNIFAC and modified UNIFAC (Dortmund) models with experimental data and values using the mobile order theory

Authors
Hansen, HK Riverol, C Acree, WE
Citation
Hk. Hansen et al., Solubilities of anthracene, fluoranthene and pyrene in organic solvents: Comparison of calculated values using UNIFAC and modified UNIFAC (Dortmund) models with experimental data and values using the mobile order theory, CAN J CH EN, 78(6), 2000, pp. 1168-1174
Citations number
16
Categorie Soggetti
Chemical Engineering
Journal title
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
ISSN journal
00084034 → ACNP
Volume
78
Issue
6
Year of publication
2000
Pages
1168 - 1174
Database
ISI
SICI code
0008-4034(200012)78:6<1168:SOAFAP>2.0.ZU;2-2
Abstract
The solubility of anthracene in 43 organic solvents, fluoranthene (45 solve nts) and pyrene (30 solvents) has been calculated using UNIFAC and Modified UNIFAC (Dortmund) models to estimate the activity coefficient of the solut e. It was found that both UNIFAC and Modified UNIFAC described better the s olubilities in polar solvents like alcohols, ketones, esters and ethers tha n in nonpolar solvents like alkanes and aromatic hydrocarbons. UNIFAC and t he Mobile Order Theory supplement each other well in calculating the solubi lities, which means that one can Choose the right model depending on the:so lvent one is using.