[图书][B] Thermodynamic models for industrial applications: from classical and advanced mixing rules to association theories

GM Kontogeorgis, GK Folas - 2009 - books.google.com
Using an applications perspective Thermodynamic Models for Industrial Applications
provides a unified framework for the development of various thermodynamic models …

Towards a predictive thermodynamic description of sorption processes in polymers: The synergy between theoretical EoS models and vibrational spectroscopy

G Mensitieri, G Scherillo, C Panayiotou… - Materials Science and …, 2020 - Elsevier
Understanding and predicting sorption thermodynamics of low molecular weight compounds
in rubbery and glassy polymers is of great relevance to elucidate important phenomena in …

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

I Tsivintzelis, GM Kontogeorgis, ML Michelsen… - Fluid Phase …, 2011 - Elsevier
In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In
this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with …

A predictive group-contribution simplified PC-SAFT equation of state: application to polymer systems

A Tihic, GM Kontogeorgis, N Von Solms… - Industrial & …, 2008 - ACS Publications
A group-contribution (GC) method is coupled with the molecular-based perturbed-chain
statistical associating fluid theory (PC-SAFT) equation of state (EoS) to predict its …

Estimation of pure component parameters of PC-SAFT EoS by an artificial neural network based on a group contribution method

H Matsukawa, M Kitahara, K Otake - Fluid Phase Equilibria, 2021 - Elsevier
In this study, we introduced an artificial neural network (ANN), which can represent objects
that are difficult to formulate, rather than the integrated model of the group contribution …

Data-driven modeling of H2 solubility in hydrocarbons using white-box approaches

F Hadavimoghaddam, MR Mohammadi… - International Journal of …, 2022 - Elsevier
As a result of technological advancements, reliable calculation of hydrogen (H 2) solubility in
diverse hydrocarbons is now required for the design and efficient operation of processes in …

SAFT associating fluids and fluid mixtures

C McCabe, A Galindo - 2010 - books.rsc.org
While we could argue that the goals of modelling fluid phase equilibria have not changed
greatly since the time of van der Waals, there is little doubt that the systems of interest have …

Influence of copolymer composition on the phase behavior of solid dispersions

A Prudic, T Kleetz, M Korf, Y Ji… - Molecular …, 2014 - ACS Publications
The incorporation of poorly soluble active pharmaceutical ingredients (APIs) into excipients
(eg, polymers) to formulate an amorphous solid dispersion is a promising strategy to …

[HTML][HTML] Solvent influence on the phase behavior and glass transition of Amorphous Solid Dispersions

S Dohrn, C Luebbert, K Lehmkemper… - European Journal of …, 2021 - Elsevier
Understanding the long-term stability of amorphous solid dispersions (ASDs) is important for
their successful approval for market. ASD stability does not only depend on the interplay …

Estimating the solubility of salsalate in supercritical CO2 via PC-SAFT modeling using its experimental solubility data in organic solvents

MM Azim, I Ushiki, A Miyajima, S Takishima - The Journal of Supercritical …, 2022 - Elsevier
In this work, a methodology was studied for estimating the solubility of salsalate, an active
pharmaceutical ingredient of non-steroidal anti-inflammatory drugs, in supercritical CO 2 …