Thermodynamic modeling of pharmaceuticals solubility in pure, mixed and supercritical solvents

O Faraz, M Poustchi, EN Denyani, P Movahedi… - Journal of Molecular …, 2022 - Elsevier
In this study, the capability of the PHSC model was evaluated to predict the solubility of the
pharmaceuticals in pure, mixed, and supercritical solvents over a wide range of …

Effect of Lewis acid-base complexes between CO2 and alkanols on phase behavior at high pressure

BH Park, HY Shin, BS Lee - Journal of CO2 Utilization, 2021 - Elsevier
Due to the electropositivity of the carbon atom in CO 2 which results from its lower electron
density compared to that of the oxygen atom, CO 2 molecules can act either as proton …

Pressure, temperature and concentration effects on hydrogen bonding in poly (ethylene oxide) aqueous solution

BS Lee - Journal of Molecular Liquids, 2018 - Elsevier
Abstract Poly (ethylene oxide)(PEO) is a biocompatible polymer and is widely used in
biomedical application such as drug delivery devices. Such biomedical application is …

Liquid-liquid equilibrium of binary ethanol–polyisobutene and ternary ethanol–water–polyisobutene systems under low-and high-pressure conditions: An assessment …

RB Lavrador, JP Lazari, MM Seckler… - Journal of Molecular …, 2024 - Elsevier
Sugarcane bioethanol in either anhydrous or hydrous forms stands out as an economically
viable bioproduct that can be used as a fuel or feedstock in various innovative applications …

Influence of cyclic dimer formation on the phase behavior of carboxylic acids

J Janecek, P Paricaud - The Journal of Physical Chemistry B, 2012 - ACS Publications
A new thermodynamic approach based on the Sear and Jackson association theory for
doubly bonded dimers [Mol. Phys. 1994, 82, 1033] is proposed to describe the …

Thermodynamic modeling of anticancer drugs solubilities in supercritical CO2 using the PC-SAFT equation of state

C Zhang, Y Sun, H Ning, L Zhang, R Shahriari - Fluid Phase Equilibria, 2025 - Elsevier
In this research, the solubility of anticancer drugs in the supercritical CO 2 is modeled using
the PC-SAFT equation of state (EoS). Ten anticancer drugs containing Empagliflozin …

A new development of equation of state for square-well chain-like molecules with variable width 1.1≤ λ≤ 3

J Li, H He, C Peng, H Liu, Y Hu - Fluid Phase Equilibria, 2009 - Elsevier
A new equation of state (EOS) for square-well chain molecules and their mixtures with
variable well-width range (SWCF-VR-EOS) has been developed based on the sticky-point …

Phase behavior modeling of mixtures containing N-, S-, and O-heterocyclic compounds using PC-SAFT equation of state

E Razavi, A Khoshsima, R Shahriari - Industrial & Engineering …, 2019 - ACS Publications
In this study, thermodynamic modeling of mixtures including heterocyclic compounds using
the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) is …

Prediction of azeotropes position of refrigerant mixtures using the PHSC EoS

S Wang, R Shariyati - Fluid Phase Equilibria, 2024 - Elsevier
The work aims is predict the azeotropes' position in refrigerant mixtures using the Perturbed
Hard Sphere Chain (PHSC) equation of state (EoS). The vapor-liquid equilibrium (VLE) of …

Phase behavior of glycol ether surfactant systems in the presence of brine and hydrocarbon: Experiment and modeling

A Khoshsima, MR Dehghani - Fluid Phase Equilibria, 2016 - Elsevier
In this study, liquid–liquid equilibrium measurements were performed for the ternary
(water/non-ionic surfactant/decane) systems at T= 298.15 K and atmospheric pressure …