COSMOPharm: Drug–Polymer Compatibility of Pharmaceutical Amorphous Solid Dispersions from COSMO-SAC
The quantum mechanics-aided COSMO-SAC activity coefficient model is applied and
systematically examined for predicting the thermodynamic compatibility of drugs and …
systematically examined for predicting the thermodynamic compatibility of drugs and …
Model-Based design of a novel process applicable to solution and slurry polymerization with phase change
XB Zhang, K Wang, D Wang, G Yang, Y Gao… - Chemical Engineering …, 2024 - Elsevier
This work aims on developing a novel process that is applicable to solution and slurry
polymerization, which can efficiently control production efficiency, product properties and …
polymerization, which can efficiently control production efficiency, product properties and …
Predicting Kinetics of the PET Glycolysis Reaction Using an Activity-Based Model and Experimental Validation
M Schlüter, S Bhutani, K Wohlgemuth… - Industrial & …, 2024 - ACS Publications
Currently, only empirical methods are available for modeling the polyethylene terephthalate
(PET) glycolysis reaction, which do not have any predictive power, and thus, these rely …
(PET) glycolysis reaction, which do not have any predictive power, and thus, these rely …
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 …
viable bioproduct that can be used as a fuel or feedstock in various innovative applications …
[HTML][HTML] Hydrophobic interactions described using hetero-segmented PC-SAFT: 1. Alcohol/water mixtures
M Rother, G Sadowski - Fluid Phase Equilibria, 2024 - Elsevier
The hydrophobic effect plays a central role in aqueous systems containing molecules with
hydrophobic moieties. Despite the relevance of this effect for chemical processes or …
hydrophobic moieties. Despite the relevance of this effect for chemical processes or …
Viscosities of inhomogeneous systems from generalized entropy scaling
This study extends entropy scaling to inhomogeneous fluids by using the classical density
functional theory together with a new viscosity reference that takes into account the influence …
functional theory together with a new viscosity reference that takes into account the influence …
PρT measurements of 3-aminopropan-1-ol and N-(2-hydroxyethyl) morpholine from (293.15 to 473.15) K and up to 40 MPa and modeling with modified Tait and PC …
Z Mokhtari, M Najafi, H Zarei - Fluid Phase Equilibria, 2024 - Elsevier
New density data has been reported for 3-aminopropan-1-ol (AP) and N-(2-hydroxyethyl)
morpholine (NHEM) at temperatures ranging from (293.15–473.15) K at 19 pressures …
morpholine (NHEM) at temperatures ranging from (293.15–473.15) K at 19 pressures …
[PDF][PDF] Evaluation of structural (s)-SAFT-γ Mie using newly measured binary VLE data of alkanes mixed with branched alcohols
RM Slabbert - 2024 - scholar.sun.ac.za
The application of group contribution (GC) methods to an equation of state (EoS) increases
the flexibility of the EoS and has shown improvement in the predicfive capabilities of EoSs …
the flexibility of the EoS and has shown improvement in the predicfive capabilities of EoSs …