Characterization of crude oils and asphaltenes using the PC-SAFT EoS: A systematic review
In this paper, we present a systematic review of the perturbed-chain statistical associating
fluid theory equation of state (PC-SAFT) EoS for thermodynamic modeling with application in …
fluid theory equation of state (PC-SAFT) EoS for thermodynamic modeling with application in …
Continuum-scale modelling of polymer blends using the Cahn–Hilliard equation: transport and thermodynamics
The Cahn–Hilliard equation is commonly used to study multi-component soft systems such
as polymer blends at continuum scales. We first systematically explore various features of …
as polymer blends at continuum scales. We first systematically explore various features of …
Estimation of pure component parameters of PC-SAFT EoS by an artificial neural network based on a group contribution method
H Matsukawa, M Kitahara, K Otake - Fluid Phase Equilibria, 2021 - Elsevier
In this study, we introduced an artificial neural network (ANN), which can represent objects
that are difficult to formulate, rather than the integrated model of the group contribution …
that are difficult to formulate, rather than the integrated model of the group contribution …
Sorption and diffusion of methane, carbon dioxide, and their mixture in amorphous polyethylene at high pressures and temperatures
Molecular dynamics (MD) simulations are performed to study the sorption and transport
properties of CH4 and CO2 in amorphous polyethylene at temperatures from 350 to 600 K …
properties of CH4 and CO2 in amorphous polyethylene at temperatures from 350 to 600 K …
Theoretically self-consistent nonequilibrium thermodynamics of glassy polymer theory for the solubility of vapors and liquids in glassy polymers
The nonequilibrium thermodynamics of glassy polymer (NETGP) theory provides a
formalism to calculate solubilities of volatile species in glassy polymers using equilibrium …
formalism to calculate solubilities of volatile species in glassy polymers using equilibrium …
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 …
density compared to that of the oxygen atom, CO 2 molecules can act either as proton …
Solubility of Polyethylene in n-Hexane and Cyclohexane: Experimental Determination and Comparison with Solid–Liquid Equilibria-Based Predictions
JH Arndt, R Brüll, T Macko, F Perez… - Industrial & …, 2021 - ACS Publications
In polyethylene (PE) production, the slurry process, in which the polymer is suspended as a
slurry in a diluent, is particularly relevant. In the slurry state, partial solubilization of the …
slurry in a diluent, is particularly relevant. In the slurry state, partial solubilization of the …
Application of a sequential multi-solid-liquid equilibrium approach using PC-SAFT for accurate estimation of wax formation
EV Asbaghi, M Assareh - Fuel, 2021 - Elsevier
Several existing thermodynamic models for Wax precipitation use cubic EOS and average
properties for petroleum fractions. To improve predictions, this work introduces a …
properties for petroleum fractions. To improve predictions, this work introduces a …
Multicomponent Solubility of Vapors in Polyethylene: an experimental and theoretical analysis
A Ben Mrad, S Norsic, N Sheibat-Othman… - Industrial & …, 2021 - ACS Publications
A pressure decay method is used to measure the overall and individual solubilities of
multicomponent gas mixtures in different polyethylenes. The new apparatus was validated …
multicomponent gas mixtures in different polyethylenes. The new apparatus was validated …
Hydrogen solubility equilibria in bio-based Guaiacol or Levulinic acid/water mixture as lignin or cellulose depolymerization model solutions
In the last decade, much of the research was focused towards bio refining, mainly due to
increased greenhouse gasses arising from the use of the non-renewable resources. Since …
increased greenhouse gasses arising from the use of the non-renewable resources. Since …