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
… The SAFT model of Huang and Radosz, [ 43 ] perturbed chain … polyvinyl alcohols
copolymers, by rescaling the parameters obtained from the EoS to model fused-sphere models of …
copolymers, by rescaling the parameters obtained from the EoS to model fused-sphere models of …
Group-contribution SAFT equations of state: a review
… (EoSs) combine two powerful modelling tools. On the one hand, the group-contribution … of
the models applied in thermodynamic (or simulation) software. The molecularly-based SAFT-…
the models applied in thermodynamic (or simulation) software. The molecularly-based SAFT-…
Modeling of RAFT polymerization of MMA in supercritical carbon dioxide using the PC-SAFT equation of state
P López-Domínguez, JE Rivera-Peláez… - Reaction Chemistry & …, 2020 - pubs.rsc.org
… using simple partition equations in model A, whereas the perturbed-chain statistical associating
fluid theory (PC-SAFT… to calculate the phase behaviour of copolymer systems. In RAFT …
fluid theory (PC-SAFT… to calculate the phase behaviour of copolymer systems. In RAFT …
Steady-state and dynamic modeling of the solution polyethylene process based on rigorous PC-SAFT equation of state
SX Ruan, XB Zhang, ZH Luo - Industrial & Engineering Chemistry …, 2022 - ACS Publications
… the reparametrized perturbed-chain statistical associating fluid theory equation of state (PC-SAFT …
Ethylene/1-butene copolymerization is carried out in a series of continuous stirred tank …
Ethylene/1-butene copolymerization is carried out in a series of continuous stirred tank …
Experimental data and thermodynamics modeling (PC-SAFT EoS) of the {CO2+ chloroform+ PHBV} system at high pressures
R Favareto, PCC de Araujo, ID Bezerra… - The Journal of …, 2021 - Elsevier
… For copolymers, the PC-SAFT model uses pure-component parameters for all segment types…
weight of the copolymer. The total number of molecular segments, m i of copolymer i, is the …
weight of the copolymer. The total number of molecular segments, m i of copolymer i, is the …
Cubic-Plus-Chain IV: A General Framework for the SAFT-Based Chain+ Association Modification to the Cubic Equation of State
… The primary appeal of models such as CPC and CPA is that … through the inclusion of
SAFT terms when necessary. These aforementioned models─CPC, CPA, and also PC-SAFT─use …
SAFT terms when necessary. These aforementioned models─CPC, CPA, and also PC-SAFT─use …
A novel theoretical strategy for modeling viscosity of polymer melts: Modified friction theory with PC-SAFT
W Fan, Y Ji - Fluid Phase Equilibria, 2021 - Elsevier
… A modified friction theory (f-theory) combined with perturbed-chain statistical association
fluid theory (PC-SAFT) was proposed to model the dynamic viscosity of polymer melts under …
fluid theory (PC-SAFT) was proposed to model the dynamic viscosity of polymer melts under …
Evaluation and improvement of the predictive capabilities of PC-SAFT for the liquid–liquid phase boundaries in the solution polymerisation process
RM Swanepoel, CE Schwarz - Fluid Phase Equilibria, 2020 - Elsevier
… of the perturbed-chain statistical associating fluid theory (PC-SAFT) when modelling (solvent
+ linear … Their extension of PC-SAFT to copolymers will be referred to in this work as coPC-…
+ linear … Their extension of PC-SAFT to copolymers will be referred to in this work as coPC-…
Application of the PC‐SAFT Equation of State to the Prediction of Vapor Solubility in Semicrystalline Polyethylenes
JA Moebus, BR Greenhalgh - Macromolecular Reaction …, 2022 - Wiley Online Library
… , using a more contemporary EOS applicable to polyolefin modeling; the perturbed chain-…
All of the polymers examined in this work are copolymers of ethylene and 1-hexene (EH), …
All of the polymers examined in this work are copolymers of ethylene and 1-hexene (EH), …
Investigating various parametrization strategies for pharmaceuticals within the PC-SAFT equation of state
M Klajmon - Journal of Chemical & Engineering Data, 2020 - ACS Publications
… the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state being
… API in a broad set of solvent systems using suited thermodynamic models, and a subsequent …
… API in a broad set of solvent systems using suited thermodynamic models, and a subsequent …