Characterization of crude oils and asphaltenes using the PC-SAFT EoS: A systematic review

N Seitmaganbetov, N Rezaei, A Shafiei - Fuel, 2021 - Elsevier
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 …

Continuum-scale modelling of polymer blends using the Cahn–Hilliard equation: transport and thermodynamics

PK Inguva, PJ Walker, HW Yew, K Zhu, AJ Haslam… - Soft matter, 2021 - pubs.rsc.org
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 …

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 …

Sorption and diffusion of methane, carbon dioxide, and their mixture in amorphous polyethylene at high pressures and temperatures

Y Yang, AK Narayanan Nair, S Sun - Industrial & Engineering …, 2021 - ACS Publications
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 …

Theoretically self-consistent nonequilibrium thermodynamics of glassy polymer theory for the solubility of vapors and liquids in glassy polymers

BD Marshall, R Mathias, RP Lively… - Industrial & …, 2021 - ACS Publications
The nonequilibrium thermodynamics of glassy polymer (NETGP) theory provides a
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 …

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 …

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 …

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 …

Hydrogen solubility equilibria in bio-based Guaiacol or Levulinic acid/water mixture as lignin or cellulose depolymerization model solutions

LF Zilnik, M Grilc, B Likozar - Fluid Phase Equilibria, 2021 - Elsevier
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 …