DOI: 10.1002/aic.10020. Effect of pressure on the complete phase behavior of binary mixtures

Effect of pressure on the complete phase behavior of binary mixtures

10.1002/aic.10020

Crossref journal-article

Wiley

AIChE Journal (311)

Abstract

AbstractUsing Gibbs‐Duhem integration and semigrand canonical Monte Carlo simulations, temperature vs. composition phase diagrams for a binary Lennard‐Jones mixture, σ11/σ22 = 0.85 and ϵ11/ϵ22 = 1.6, are calculated at several reduced pressures in order to examine the effects of pressure on complete phase behavior (that is, equilibrium between vapor, liquid, and solid phases). Interference is observed between the vapor–liquid and solid–liquid coexistence regions at the lowest pressure. As the pressure increases, the vapor–liquid coexistence region shifts to higher temperatures, while the solid–liquid coexistence region remains essentially unaffected. Eventually, the vapor–liquid coexistence region lifts off the solid–liquid coexistence region, ending the interference. Pressure vs. temperature projections for binary Lennard‐Jones mixtures at σ11/σ22 = 0.85, 0.9, and 0.95, and ϵ11/ϵ22 = 0.45 and 1.6 are also presented to explore how the three‐phase loci (solid–liquid–vapor and solid–solid–liquid) change with variations in diameter ratio and well‐depth ratio. It is found that as the diameter ratio decreases, the maximum pressure in the solid–liquid–vapor locus decreases and the characteristic shape of the solid–liquid coexistence region changes from peritectic to eutectic. As the well‐depth ratio decreases, the maximum pressure in the solid–liquid–vapor locus increases. For one mixture, σ11/σ22 = 0.9 and ϵ11/ϵ22 = 1.6, a quadruple point of solid–solid–liquid–vapor coexistence is located. © 2004 American Institute of Chemical Engineers AIChE J, 50: 215–225, 2004

Bibliography

Lamm, M. H., & Hall, C. K. (2004). Effect of pressure on the complete phase behavior of binary mixtures. AIChE Journal, 50(1), 215â225. Portico.

Authors 2

Monica H. Lamm (first)
Carol K. Hall (additional)

References 38 Referenced 12

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{'key': 'e_1_2_8_3_1', 'volume-title': 'Computer Simulation of Liquids', 'author': 'Allen M. P.', 'year': '1987'} / Computer Simulation of Liquids by Allen M. P. (1987)
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{'key': 'e_1_2_8_7_1', 'volume-title': 'Applied Numerical Methods', 'author': 'Carnahan B.', 'year': '1969'} / Applied Numerical Methods by Carnahan B. (1969)
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{'key': 'e_1_2_8_11_1', 'volume-title': 'The Phase Rule and Its Applications', 'author': 'Findlay A.', 'year': '1951'} / The Phase Rule and Its Applications by Findlay A. (1951)
{'key': 'e_1_2_8_12_1', 'volume-title': 'Understanding Molecular Simulations', 'author': 'Frenkel D.', 'year': '1996'} / Understanding Molecular Simulations by Frenkel D. (1996)
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{'key': 'e_1_2_8_30_1', 'volume-title': 'Liquids and Liquid Mixtures', 'author': 'Rowlinson J. S.', 'year': '1982'} / Liquids and Liquid Mixtures by Rowlinson J. S. (1982)
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{'key': 'e_1_2_8_32_1', 'series-title': 'Chemical Thermodynamics', 'volume-title': '“High‐Pressure Phase Diagrams and Critical Properties of Fluid Mixtures,”', 'author': 'Schneider G. M.', 'year': '1978'} / “High‐Pressure Phase Diagrams and Critical Properties of Fluid Mixtures,” / Chemical Thermodynamics by Schneider G. M. (1978)
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Dates

Type	When
Created	21 years, 7 months ago (Jan. 26, 2004, 3 a.m.)
Deposited	1 year, 10 months ago (Oct. 13, 2023, 6:18 p.m.)
Indexed	1 month ago (Aug. 2, 2025, 12:30 a.m.)
Issued	21 years, 8 months ago (Jan. 1, 2004)
Published	21 years, 8 months ago (Jan. 1, 2004)
Published Online	21 years, 7 months ago (Jan. 23, 2004)
Published Print	21 years, 8 months ago (Jan. 1, 2004)

Funders 0

None

BibTeX

@article{Lamm_2004, title={Effect of pressure on the complete phase behavior of binary mixtures}, volume={50}, ISSN={1547-5905}, url={http://dx.doi.org/10.1002/aic.10020}, DOI={10.1002/aic.10020}, number={1}, journal={AIChE Journal}, publisher={Wiley}, author={Lamm, Monica H. and Hall, Carol K.}, year={2004}, month=jan, pages={215–225} }

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