Predicting phase behavior of multi-component and polydisperse aqueous mixtures using a virial approach

Sturtewagen, Luka

doi:10.18174/519721

Cited by 2 publications

(2 citation statements)

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“…For the extra set of equations, we build on the fact that no particles are lost and no new particles are created during phase separation and the fact that we assume the total volume does not change. For a system that separates into two separate phases, indicated by I and II, we obtain an extra set of equations (Sturtewagen, 2020):…”

Section: Theoretical Backgroundmentioning

confidence: 99%

Phase behavior in multicomponent mixtures

Sturtewagen,

Dewi,

Bot

et al. 2024

Front. Soft Matter

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In this article, we study the phase behavior of two polydisperse hydrocolloids: dextran and polyethylene oxide. We combine the data on the experimental osmometric virial coefficients of the pure components with the experimental critical point of their aqueous mixture and the size distribution of each component from a previously published study in order to predict the phase boundary, spinodal, and fractionation upon demixing of the polydisperse mixture. We compare the results of our calculation to the experimental phase diagram. Our method reveals a better correspondence with the experimental binary phase behavior than modeling each component as monodisperse. The polydispersity of the hydrocolloids causes the phase separation boundary to shift to lower concentrations and the miscibility region to decrease and change its shape from a rotated U-shape to a W-shape.

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Section: Theoretical Backgroundmentioning

confidence: 99%

Phase behavior in multicomponent mixtures

Sturtewagen,

Dewi,

Bot

et al. 2024

Front. Soft Matter

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“…One can then use experimentally accessible virial coefficients between the components and solve the equations numerically. Our work is aimed at this approach, starting with three-component systems in this article, which is worked out for mixtures with more components in detail elsewhere [14]. It is noted that the occasionally qualitative nature of insights, as also emerges from random matrix theory, will emerge from using other second-order virial approaches as well, in particular when applying it to non-dilute concentrations.…”

Section: Introductionmentioning

confidence: 99%

Ternary Mixtures of Hard Spheres and Their Multiple Separated Phases

Sturtewagen,

van der Linden

2023

Molecules

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We study the liquid phase behavior of ternary mixtures of monodisperse hard spheres in solution. The interactions are modeled in terms of the second virial coefficient and can be additive hard sphere (HS) or non-additive hard sphere (NAHS) interactions. We give the set of equations that defines the phase diagram for mixtures of three components. We calculate the theoretical liquid–liquid phase separation boundary for two-phase separation (the binodal) and, if applicable, the three-phase boundary, as well as the plait points and the spinodal. The sizes of the three components are fixed. The first component (A) is the smallest one, the second component (B) is four times the size of the smallest component, and the third (C) component is three times the size of the smallest one. The interaction between the first two components is fixed, and this AB sub-mixture shows phase separation. The interactions of component C with the other two components are varied. Component C can be compatible or incompatible with components A and B. Depending on the compatibility of the components, the phase diagram is altered. The addition of the third component has an influence on the phase boundary, plait points, stability region, fractionation, and volume ratio between the different phases. When all sub-mixtures (AB, AC, and BC) show phase separation, a three-phase system becomes possible when the incompatibility among all components is high enough. The position and size of the three-phase region is dependent on the interactions between the different sub-mixtures. We study the fractionation off all components depending on specific parent concentrations.

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Predicting phase behavior of multi-component and polydisperse aqueous mixtures using a virial approach

Abstract: This chapter is based on: Luka Sturtewagen and Erik van der Linden. Effect of polydispersity on the phase behavior of additive hard spheres in solution, part I. (submitted)

Cited by 2 publications

References 2 publications

Phase behavior in multicomponent mixtures

Phase behavior in multicomponent mixtures

Ternary Mixtures of Hard Spheres and Their Multiple Separated Phases

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