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 …
dependent dissociation and salt formation which complicates the design of cocrystal …
[HTML][HTML] Predicting the solubility of pharmaceutical cocrystals in solvent/anti-solvent mixtures
L Lange, S Heisel, G Sadowski - Molecules, 2016 - mdpi.com
In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were
predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes …
predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes …
[HTML][HTML] Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-γ SW group contribution approach
The speciation reactions that take place in mixtures of water (H 2 O), carbon dioxide (CO 2),
and alkanolamines make the modelling of the chemical and fluid-phase equilibria of these …
and alkanolamines make the modelling of the chemical and fluid-phase equilibria of these …
Polymorphs, hydrates, cocrystals, and cocrystal hydrates: Thermodynamic modeling of theophylline systems
L Lange, G Sadowski - Crystal Growth & Design, 2016 - ACS Publications
Polymorphic transitions and hydrate formation often occur in systems of cocrystal-forming
components. To increase the efficiency of cocrystal formation and purification processes, the …
components. To increase the efficiency of cocrystal formation and purification processes, the …
Predicting the effect of pH on stability and solubility of polymorphs, hydrates, and cocrystals
L Lange, M Schleinitz, G Sadowski - Crystal Growth & Design, 2016 - ACS Publications
Cocrystal formation processes from aqueous solutions are often affected by pH-dependent
dissociation, polymorphic transitions, and formation of hydrates and salts. To enhance the …
dissociation, polymorphic transitions, and formation of hydrates and salts. To enhance the …
Improved estimation of PC-SAFT equation of state parameters using a multi-objective variable-weight cost function
M Fuenzalida, J Cuevas-Valenzuela… - Fluid Phase …, 2016 - Elsevier
Obtaining pure compound parameters and discerning among sets of parameter values that
seem to perform equally well are major challenges when fitting equations of state (EoS) of …
seem to perform equally well are major challenges when fitting equations of state (EoS) of …
Comparative evaluation of rigorous thermodynamic models for the description of the hydroformylation of 1-dodecene in a thermomorphic solvent system
VA Merchan, G Wozny - Industrial & Engineering Chemistry …, 2016 - ACS Publications
In this contribution implications of using different rigorous thermodynamic models for the
description of the liquid–liquid equilibrium (LLE) appearing in an hydroformylation process …
description of the liquid–liquid equilibrium (LLE) appearing in an hydroformylation process …
Hydrogen bonding in polymer solution
CH Bang, HK Choi, BS Lee - Journal of Chemical & Engineering …, 2016 - ACS Publications
The perturbed hard-sphere-chain-association (PHSC-AS) equation of state is applied to
calculate the phase equilibrium of hydrogen bonding polymer systems. The pure parameters …
calculate the phase equilibrium of hydrogen bonding polymer systems. The pure parameters …
VOC sorption in stretched cross-linked natural rubber
N Gushterov, F Doghieri, D Quitmann… - Industrial & …, 2016 - ACS Publications
Sorption of volatile organic compound (VOC) vapors in natural rubber (NR) was measured
at 20° C using a magnetic suspension balance. Experiments were performed with non-cross …
at 20° C using a magnetic suspension balance. Experiments were performed with non-cross …
Measurement and prediction of phase equilibria of ethylene+ vinyl acetate+ methanol+ poly (ethylene-co-vinyl acetate) systems
T Nakamura, A Igarashi, Y Sato, H Inomata - Fluid Phase Equilibria, 2016 - Elsevier
This work investigated the solubilities of ethylene in the 10 wt% poly (ethylene-co-vinyl
acetate)(EVA) solutions including vinyl acetate (VA) and methanol which are related to …
acetate)(EVA) solutions including vinyl acetate (VA) and methanol which are related to …