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  4. Lyogel Equilibria with Helmholtz Equations of State: Source Code

Lyogel Equilibria with Helmholtz Equations of State: Source Code

Citation Link: https://doi.org/10.15480/882.16926
Type
Source Code
Version
1.0
Date Issued
2026-07-22
Author(s)
Jaeschke, Nanning
Thermische Verfahrenstechnik V-8
Researcher
Smirnova, Irina
Thermische Verfahrenstechnik V-8
Chapman, Walter G.
Rice University
Language
English
TORE-DOI
10.15480/882.16926
TORE-URI
https://hdl.handle.net/11420/62449
Is Supplement To
10.1021/acs.iecr.6c01490
10.1021/acs.iecr.6c01731
Abstract
This repository contains the software, model parameters, supporting data, and calculated results for the two-part study *Lyogel Equilibria with Helmholtz Equations of State*. Part I introduces a robust second-order framework for tracing phase equilibria, while Part II applies the framework to assess PC-SAFT parametrizations and network models for pNIPAM lyogels.

1. Jaeschke, N.; Smirnova, I.; Chapman, W. G. *Lyogel Equilibria with Helmholtz Equations of State. Part I: A Robust Second-Order Framework.* **Industrial & Engineering Chemistry Research** 2026. https://doi.org/10.1021/acs.iecr.6c01490

2. Jaeschke, N.; Chapman, W. G.; Smirnova, I. *Lyogel Equilibria with Helmholtz Equations of State. Part II: Assessment of PC-SAFT Parametrizations and Network Models for pNIPAM Lyogels.* **Industrial & Engineering Chemistry Research** 2026. https://doi.org/10.1021/acs.iecr.6c01731
Subjects
Hydrogel
Gel Modeling
Smart Reactors
PC-SAFT
Equilibrium Calculations
DDC Class
660.2: Chemical Engineering
Funding(s)
SFB 1615 - SMARTe Reaktoren für die Verfahrenstechnik der Zukunft
CRC 1615 - Project B01: Materials for SMART reactors: Thermodynamic and kinetic modelling of responsive materials
License
https://mit-license.org/
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