Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR Article Swipe
Binwu Zhao
,
Tom Lindeboom
,
Steven W. Benner
,
George Jackson
,
Amparo Galindo
,
Carol K. Hall
·
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acs.langmuir.7b02249
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acs.langmuir.7b02249
The statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to predict the fluid phase behavior of elastin-like polypeptide (ELP) sequences in aqueous solution with special focus on the loci of lower critical solution temperatures (LCSTs). A SAFT-VR model for these solutions is developed following a coarse-graining approach combining information from atomistic simulations and from previous SAFT models for previously reported relevant systems. Constant-pressure temperature-composition phase diagrams are determined for solutions of (VPGVG)n sequences + water with n = 1 to 300. The SAFT-VR equation of state lends itself to the straightforward calculation of phase boundaries so that complete fluid-phase equilibria can be calculated efficiently. A broad range of thermodynamic conditions of temperature and pressure are considered, and regions of vapor-liquid and liquid-liquid coexistence, including LCSTs, are found. The calculated phase boundaries at low concentrations match those measured experimentally. The temperature-composition phase diagrams of the aqueous ELP solutions at low pressure (0.1 MPa) are similar to those of types V and VI phase behavior in the classification of Scott and van Konynenburg. An analysis of the high-pressure phase behavior confirms, however, that a closed-loop liquid-liquid immiscibility region, separate from the gas-liquid envelope, is present for aqueous solutions of (VPGVG)30; such a phase diagram is typical of type VI phase behavior. ELPs with shorter lengths exhibit both liquid-liquid and gas-liquid regions, both of which become less extensive as the chain length of the ELP is decreased. The strength of the hydrogen-bonding interaction is also found to affect the phase diagram of the (VPGVG)30 system in that the liquid-liquid and gas-liquid regions expand as the hydrogen-bonding strength is decreased and shrink as it is increased. The LCSTs of the mixtures are seen to decrease as the ELP chain length is increased.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.langmuir.7b02249
- OA Status
- hybrid
- Cited By
- 6
- References
- 103
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2744890539
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W2744890539Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.langmuir.7b02249Digital Object Identifier
- Title
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Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VRWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2017Year of publication
- Publication date
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2017-08-09Full publication date if available
- Authors
-
Binwu Zhao, Tom Lindeboom, Steven W. Benner, George Jackson, Amparo Galindo, Carol K. HallList of authors in order
- Landing page
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https://doi.org/10.1021/acs.langmuir.7b02249Publisher landing page
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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https://doi.org/10.1021/acs.langmuir.7b02249Direct OA link when available
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Phase diagram, Aqueous solution, Thermodynamics, Phase (matter), Chemistry, Chromatography, Physics, Organic chemistryTop concepts (fields/topics) attached by OpenAlex
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6Total citation count in OpenAlex
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2021: 1, 2020: 2, 2019: 1, 2018: 2Per-year citation counts (last 5 years)
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103Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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