Group-contribution SAFT equations of state: a review

F Shaahmadi, SAM Smith, CE Schwarz, AJ Burger… - Fluid Phase …, 2023 - Elsevier
We present a review and thorough assessment of recent advances and applications of
group-contribution methods (GCMs) implemented in the Statistical Associating Fluid Theory …

Predicting Surface pH in Unbuffered Conditions for Acids, Bases, and Their Salts–A Review of Modeling Approaches and Their Performance

T Casalini, J Mann, X Pepin - Molecular Pharmaceutics, 2023 - ACS Publications
Dissolution of ionizable drugs and their salts is a function of drug surface solubility driven by
the surface pH, ie, the microenvironmental pH at the solid/liquid interface, which will deviate …

CO2 solubility and diffusivity in poly (vinyl acetate) studied using the PC-SAFT and free volume theory

I Ushiki, S Ota, S Kihara, S Takishima - The Journal of Supercritical Fluids, 2023 - Elsevier
Abstract Poly (vinyl acetate)(PVAc) is a polymer used in various industrial applications, and
the quantitative determination of CO 2 solubility and diffusion coefficient is important for …

[HTML][HTML] Cryogenic CO2 capture from oxy-combustion flue gas by a hybrid distillation+ physical absorption process

G De Guido - Chemical Engineering Research and Design, 2023 - Elsevier
Hybrid flowsheets are defined, in the context of process intensification, as alternatives
suitable for replacing energy-intensive separation methods through the combination of more …

Investigation and optimization of polyolefin elastomers polymerization processes using multi-objective genetic algorithm

SX Ruan, XB Zhang, ZH Luo - Chemical Engineering Research and Design, 2023 - Elsevier
The aim of this research is to develop continuous reactor network models to determine the
reactor configuration and corresponding optimal operating conditions of a polyolefin …

Physicochemical Insights into Enzymatic Polymerization of Lignosulfonates

SA Mayr, S Wagner, R Nagl, A Pellis… - ACS Sustainable …, 2023 - ACS Publications
The enzyme-catalyzed polymerization of lignosulfonates was investigated. Molecular
formulas for the initial material (LS) and the final polymerized lignosulfonates (pLS) were …

Solubility Prediction and Dissolution Mechanism Analysis of Etodolac in Complex Polymer Solutions Based on Thermodynamic and Interfacial Mass Transfer Models

M Zhang, K Ge, Y Chen, Y Ji - Industrial & Engineering Chemistry …, 2023 - ACS Publications
In this work, the solubilities and dissolution profiles of etodolac were determined in water
with four polymers (PEG 6000, PEG 20000, PVP K25, and HPMC E3) at 300.15 305.15 …

[PDF][PDF] Selection of Property Methods and Estimation of Physical Properties for Polymer Process Modeling

YA Liu, N Sharma - … , Advanced Control and Data Analytics for …, 2023 - researchgate.net
This chapter introduces novel methodologies for characterizing phase equilibrium and
estimating physical properties crucial to polyolefin manufacturing. It presents an in-depth …

Cubic-Plus-Chain IV: A General Framework for the SAFT-Based Chain+ Association Modification to the Cubic Equation of State

CJ Sisco, MM Alajmi, MIL Abutaqiya… - Industrial & …, 2023 - ACS Publications
The cubic-plus-chain (CPC) equation of state (EOS)[Sisco & Abutaqiya et al., Ind. Eng.
Chem. Res. 2019, 58 (17), 7341–7351] is a thermodynamic model that combines the …

Modelling of polymerization kinetics and molar mass development in the nitroxide‐mediated polymerization (NMP) of styrene in supercritical carbon dioxide using the …

P López‐Domínguez, M Ríos‐López… - … Canadian Journal of …, 2023 - Wiley Online Library
A mathematical model for polymerization kinetics and molar mass development in the
nitroxide‐mediated polymerization (NMP) of vinyl monomers in supercritical carbon dioxide …