Computer-aided framework for pure component properties and phase equilibria prediction for organic systems

2007 ◽  
Vol 261 (1-2) ◽  
pp. 199-204 ◽  
Author(s):  
Hugo Edson González ◽  
Jens Abildskov ◽  
Rafiqul Gani
Keyword(s):  
Phase Equilibria ◽  
Pure Component ◽  
Organic Systems ◽  
Computer Aided

scholarly journals Thermodynamics of phase equilibria in aqueous-organic systems with salt

AIChE Journal ◽  
1994 ◽  
Vol 40 (4) ◽  
pp. 676-691 ◽  
Author(s):  
H. Zerres ◽  
J. M. Prausnitz
Keyword(s):  
Phase Equilibria ◽  
Organic Systems

Areas of J. C. Maxwell for Pure-Component Fluid-Phase Equilibria from Equations of State

1996 ◽  
Vol 35 (7) ◽  
pp. 2431-2437 ◽  
Author(s):  
Nishawn S. M. Hanif ◽  
Guor-Shiarn Shyu ◽  
Kenneth R. Hall ◽  
Philip T. Eubank
Keyword(s):  
Phase Equilibria ◽  
Equations Of State ◽  
Fluid Phase ◽  
Pure Component ◽  
Fluid Phase Equilibria

Effect of pressure on the solid-liquid phase equilibria of binary organic systems

1989 ◽  
Vol 10 (1) ◽  
pp. 27-34 ◽  
Author(s):  
K. Nagaoka ◽  
T. Makita ◽  
N. Nishiguchi ◽  
M. Moritoki
Keyword(s):  
Liquid Phase ◽  
Phase Equilibria ◽  
Effect Of Pressure ◽  
Organic Systems ◽  
Solid Liquid

scholarly journals A new atmospheric aerosol phase equilibrium model (UHAERO): organic systems

2007 ◽  
Vol 7 (17) ◽  
pp. 4675-4698 ◽  
Author(s):  
N. R. Amundson ◽  
A. Caboussat ◽  
J. W. He ◽  
A. V. Martynenko ◽  
C. Landry ◽  
...  
Keyword(s):  
Phase Equilibrium ◽  
Phase Equilibria ◽  
Phase Diagrams ◽  
Atmospheric Aerosols ◽  
Water Systems ◽  
Organic Species ◽  
Atmospheric Particle ◽  
Organic Systems ◽  
Activity Coefficient Model ◽  
Liquid And Solid Phases

Abstract. In atmospheric aerosols, water and volatile inorganic and organic species are distributed between the gas and aerosol phases in accordance with thermodynamic equilibrium. Within an atmospheric particle, liquid and solid phases can exist at equilibrium. Models exist for computation of phase equilibria for inorganic/water mixtures typical of atmospheric aerosols; when organic species are present, the phase equilibrium problem is complicated by organic/water interactions as well as the potentially large number of organic species. We present here an extension of the UHAERO inorganic thermodynamic model (Amundson et al., 2006c) to organic/water systems. Phase diagrams for a number of model organic/water systems characteristic of both primary and secondary organic aerosols are computed. Also calculated are inorganic/organic/water phase diagrams that show the effect of organics on inorganic deliquescence behavior. The effect of the choice of activity coefficient model for organics on the computed phase equilibria is explored.

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