Modelling the thermodynamic properties of the mixture of water and polyethylene glycol (PEG) with the SAFT-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si234.svg" display="inline" id="d1e1910"><mml:mi>γ</mml:mi></mml:math> Mie group-contribution approach

Valsecchi, Michele; Galindo, Amparo; Jackson, George

doi:10.1016/j.fluid.2023.113952

Cited by 6 publications

(1 citation statement)

References 120 publications

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“…The PC-SAFT is also a versatile theory and is also able to predict the phase behavior of, e.g., aqueous solutions of PNIPAM and PEO. The phase behavior of the two systems is predicted to be in good agreement with experimental data [ 84 , 85 ].…”

Section: Discussionsupporting

confidence: 62%

Effect of End Groups on the Cloud Point Temperature of Aqueous Solutions of Thermoresponsive Polymers: An Inside View by Flory–Huggins Theory

Dang,

Nies

2024

Polymers

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In an effort to gain insight into the origin of the effects of end groups on the cloud point temperature (Tcp) as a function of the polymer molar mass of thermoresponsive polymers with lower critical solution behavior in dilute aqueous solutions, we use the Flory–Huggins (FH) theory amended for end groups. The theory was applied to available experimental data sets of poly(N-isopropylacrylamide) (PNIPAM), poly(4-vinylbenzyl methoxytris(oxyethylene) ether) (PTEGSt), and poly(α-hydro-ω-(4-vinylbenzyl)tetrakis(oxyethylene) ether) (PHTrEGSt). The theory relates the variations in TcpM,ϕcp for different end groups to the effective FH χ parameter of the end groups and explains the qualitative notion that the influence of the end groups is related to the hydrophobicity/hydrophilicity of the end groups relative to that of the so called intrinsic TcpM,ϕcp response of a polymer without end groups. The limits to the applicability of the FH theory are established, and a set of possible theoretical improvements is considered. The ultimate scrutiny of the simple FH theory and suggested improved theories must await the measurement of truly thermodynamic cloud points; the available cloud points are merely estimations of the thermodynamic cloud point, for which the deviation to the true cloud point cannot be established with sufficient accuracy.

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Section: Discussionsupporting

confidence: 62%

Effect of End Groups on the Cloud Point Temperature of Aqueous Solutions of Thermoresponsive Polymers: An Inside View by Flory–Huggins Theory

Dang,

Nies

2024

Polymers

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Effect of titanium oxide on structural and optoelectrical properties of PLA/PEG/graphene nanocomposite films

Shehzad,

Aslam,

Basit

et al. 2024

Synthetic Metals

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Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Developing Parameters for Systems Containing Glymes and Ethylene Glycols in s-SAFT-γ Mie

Schulze-Hulbe,

Burger,

Cripwell

2024

Ind. Eng. Chem. Res.

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High energy requirements are a key barrier to the wide-scale adoption of alkanolamine-based carbon capture processes. A potential solution to this issue may lie in replacing water, the traditional cosolvent, with an organic alternative. Accordingly, this work presents the continued parametrization of the s-SAFT-γ Mie predictive group-contribution equation of state toward a description of alkanolamine/CO 2 /organic cosolvent systems. A consistent and systematic methodology is employed in extending s-SAFT-γ Mie to glymes and ethylene glycols and their mixtures with alkanolamines. s-SAFT-γ Mie provides robust qualitative descriptions of ethylene glycols and glymes as well as mono-and diethers. While model predictions are not always quantitative, the ability to obtain qualitatively meaningful results for a wide range of components with a single transferable parameter set underlines s-SAFT-γ Mie's broad applicability. This highlights s-SAFT-γ Mie's value in preliminary process design, where rapidly obtainable qualitative property estimates may be preferable to time-and resource-intensive measurements.

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Modelling the thermodynamic properties of the mixture of water and polyethylene glycol (PEG) with the SAFT-γ Mie group-contribution approach

Cited by 6 publications

References 120 publications

Effect of End Groups on the Cloud Point Temperature of Aqueous Solutions of Thermoresponsive Polymers: An Inside View by Flory–Huggins Theory

Effect of End Groups on the Cloud Point Temperature of Aqueous Solutions of Thermoresponsive Polymers: An Inside View by Flory–Huggins Theory

Effect of titanium oxide on structural and optoelectrical properties of PLA/PEG/graphene nanocomposite films

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Developing Parameters for Systems Containing Glymes and Ethylene Glycols in s-SAFT-γ Mie

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