Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures

AJ Haslam, A González-Pérez, S Di Lecce… - Journal of Chemical & …, 2020 - ACS Publications
We present the latest developments in thermodynamic modeling using the SAFT-γ Mie
group-contribution equation of state. The group database is updated, featuring now 58 …

[HTML][HTML] A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase …

FA Perdomo, SH Khalit, EJ Graham, F Tzirakis… - Fluid Phase …, 2023 - Elsevier
A significant effort is under way to identify improved solvents for carbon dioxide (CO 2)
capture by chemisorption. We develop a predictive framework that is applicable to aqueous …

Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen

M Wehbe, AJ Haslam, G Jackson, A Galindo - Fluid Phase Equilibria, 2022 - Elsevier
Salt formation is commonly used to increase the solubility of ionisable active pharmaceutical
ingredients (APIs) and is monitored via a pH-solubility profile of the API and its salt. Due to …

Predicting the Solubility of Amino Acids and Peptides with the SAFT-γ Mie Approach: Neutral and Charged Models

A Alyazidi, S Paliwal, FA Perdomo… - Industrial & …, 2024 - ACS Publications
Modeling approaches that can be used to predict accurately the solubility of amino acids
and peptides are of interest for the design of new pharmaceutical processes and in the …

[PDF][PDF] Development of a predictive group-contribution platform for the phase behaviour and the effect of pH on the solubility of pharmaceuticals and excipients

M Wehbe - 2023 - core.ac.uk
Predictive thermodynamic modeling tools play an important role in the design of
pharmaceutical processes by focusing experimental efforts on promising areas and …