Liquid gallium-lead mixture spinodal, binodal, and excess thermodynamic properties

Grosdidier, B.; Osman, S. M.; Abdellah, Abdellatif Ben

doi:10.1103/physrevb.78.024205

Cited by 9 publications

(6 citation statements)

References 37 publications

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“…The mixing stability of a binary mixture is described by the long-wavelength limit of the concentration-concentration structure factor S cc (0) ≡ lim q →0 S cc ( q ) 40 41 42 43 44 , because S cc (0) diverges as the thermodynamic state approaches a stability limit for a homogeneous mixture. S cc (0) represents the mean square fluctuation in the particle concentration and is expressed by a linear combination of the Kirkwood-Buff (KB) integrals G ij 41 :…”

Section: Resultsmentioning

confidence: 99%

Liquid–liquid phase separation of N-isopropylpropionamide aqueous solutions above the lower critical solution temperature

Mochizuki

Sumi

Koga

2016

Sci Rep

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We investigate driving forces of the liquid–liquid phase separation of N-isopropylpropionamide (NiPPA) aqueous solutions above the lower critical solution temperature using molecular dynamics simulations. Spontaneous phase separations of the model aqueous solution with a modified OPLS-AA force field are observed above the experimentally determined cloud point. The destabilization toward the phase separation is confirmed by temperature dependence of the long-wavelength limit of the concentration-concentration structure factor, the dominant component of which is found to be an increasing effective attraction between NiPPA molecules. At varying temperatures, the potentials of mean force (PMFs) between a pair of NiPPA molecules at infinite dilution are obtained and decomposed into the nonpolar and Coulombic contributions. The nonpolar contribution, arising essentially from molecular volume, promotes association of NiPPA molecules with increasing temperature while the Coulombic one antagonizes the association. Thus, our analysis leads to a conclusion that the driving force of thermally induced aggregation of NiPPA molecules is the temperature dependence of the nonpolar contribution in PMF between NiPPA molecules, not the temperature dependence of the number or strength of hydrogen bonds between NiPPA and water molecules.

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Section: Resultsmentioning

confidence: 99%

Liquid–liquid phase separation of N-isopropylpropionamide aqueous solutions above the lower critical solution temperature

Mochizuki

Sumi

Koga

2016

Sci Rep

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“…In recent years, several studies have been made on the thermodynamic properties of lead. [1][2][3][4][5][6][7][8][9] This fact manifested the relevance of the study of the thermodynamic properties of lead. One of the critical compressibility Z c = 0.2761 and thermal conductivity σ T = 47.7 Wm -1 K -1 .…”

Section: Ability Of the Generalized Van Der Waals And Berthelot Equatmentioning

confidence: 99%

October-December

2020

Sci Vis

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“…Phase separation from polymer solutions may occur by either nucleation and growth, if the system is meta-stable, or spinodal decomposition if the system is unstable. 45 In a system of two miscible components, the spinodal is typically defined by the condition below, in terms of the volume fraction ϕ p , where ϕ p = xN/n 0 : 46,47…”

Section: Spinodal and Binodal Phase Separationmentioning

confidence: 99%