Influence of excipients on thermodynamic phase behavior of pharmaceutical/solvent systems: Molecular thermodynamic model prediction

Q Chen, Y Ji, K Ge - Chemical Engineering Science, 2021 - Elsevier
In this work, the influence of polymeric excipients (PEG6000, PEG400, PVPK25, and
HPMCE3) on thermodynamic phase behavior of active pharmaceutical ingredients …

Predicting the aqueous solubility of pharmaceutical cocrystals as a function of pH and temperature

L Lange, K Lehmkemper, G Sadowski - Crystal Growth & Design, 2016 - ACS Publications
The solubility of pharmaceutical cocrystals in aqueous solution is influenced by pH-
dependent dissociation and salt formation which complicates the design of cocrystal …

A residual entropy scaling approach for viscosity based on the GERG-2008 equation of state

J Mairhofer - Industrial & Engineering Chemistry Research, 2021 - ACS Publications
A simple model for viscosity based on residual entropy scaling is proposed in this study. The
thermodynamic model applied to calculate residual entropy is the Groupe Européen de …

Modeling aqueous two-phase systems: I. Polyethylene glycol and inorganic salts as ATPS former

T Reschke, C Brandenbusch, G Sadowski - Fluid Phase Equilibria, 2014 - Elsevier
In this work the ePC-SAFT equation of state is applied to model aqueous two-phase systems
(ATPS) containing polyethylene glycol (PEG) and one of 16 different inorganic salts at …

Thermodynamic phase behaviour of indomethacin/PLGA formulations

A Prudic, AK Lesniak, Y Ji, G Sadowski - European Journal of …, 2015 - Elsevier
In the current study, the phase behaviour of indomethacin and poly (lactic-co-glycolic
acid)(PLGA) formulations was investigated as a function of the molecular weight and the …

Modeling of the surface tension of pure components and mixtures using the density gradient theory combined with a theoretically derived influence parameter …

B Breure, CJ Peters - Fluid Phase Equilibria, 2012 - Elsevier
In this work surface tensions are calculated by combining the Perturbed Chain Statistical
Associating Fluid Theory (PC-SAFT) with the Density Gradient Theory of inhomogeneous …

A novel approach for analyzing the dissolution mechanism of solid dispersions

Y Ji, R Paus, A Prudic, C Lübbert, G Sadowski - Pharmaceutical research, 2015 - Springer
Purpose To analyze the dissolution mechanism of solid dispersions of poorly water-soluble
active pharmaceutical ingredients (APIs), to predict the dissolution profiles of the APIs and to …

Coarse‐Grained Molecular Simulation of Polymers Supported by the Use of the SAFT‐γ γ Mie Equation of State

M Fayaz‐Torshizi, EA Müller - Macromolecular Theory and …, 2022 - Wiley Online Library
A framework to self‐consistently combine a classical equation of state (EoS) and a
molecular force field to model polymers and polymer mixtures is presented. The statistical …

[HTML][HTML] Effect of Copolymer Properties on the Phase Behavior of Ibuprofen–PLA/PLGA Mixtures

A Iemtsev, M Klajmon, F Hassouna, M Fulem - Pharmaceutics, 2023 - mdpi.com
Prediction of compatibility of the active pharmaceutical ingredient (API) with the polymeric
carrier plays an essential role in designing drug delivery systems and estimating their long …

Thermodynamic modeling for efficient cocrystal formation

L Lange, G Sadowski - Crystal Growth & Design, 2015 - ACS Publications
The purpose of this work is to increase the efficiency of the cocrystal formation process by
thermodynamic modeling using perturbed-chain statistical associating fluid theory (PC …