Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures

KR Baca, K Al-Barghouti, N Wang, MG Bennett… - Chemical …, 2024 - ACS Publications
This review discusses the research being performed on ionic liquids for the separation of
fluorocarbon refrigerant mixtures. Fluorocarbon refrigerants, invented in 1928 by Thomas …

A review of molecular simulation applied in vapor-liquid equilibria (VLE) estimation of thermodynamic cycles

X Nie, L Zhao, S Deng, W Su, Y Zhang - Journal of Molecular Liquids, 2018 - Elsevier
Thermodynamic cycles such as the organic Rankine cycle (ORC), heat pump cycles and
refrigeration cycles are flourishing in both industrial and domestic fields. As a carrier of …

A set of molecular models for carbon monoxide and halogenated hydrocarbons

J Stoll, J Vrabec, H Hasse - The Journal of chemical physics, 2003 - pubs.aip.org
Molecular models are presented for carbon monoxide and 53 halogenated methane,
ethane, and ethene derivatives, among which are important alternative refrigerants. The …

Molecular simulation studies on refrigerants past–present–future

G Raabe - Fluid Phase Equilibria, 2019 - Elsevier
Refrigeration has become essential in our society and for our standard of living. Though
environmental issues regarding the refrigerants that circulate in heating, ventilation and air …

Comprehensive study of the vapour–liquid equilibria of the pure two-centre Lennard–Jones plus pointquadrupole fluid

J Stoll, J Vrabec, H Hasse, J Fischer - Fluid Phase Equilibria, 2001 - Elsevier
Results of a systematic investigation of the vapour–liquid equilibria (VLE) of 30 individual
two-centre Lennard–Jones plus pointquadrupole model fluids (2CLJQ) are reported over a …

Modelling of pure refrigerant thermodynamic properties and vapor-liquid equilibrium of refrigerant mixtures with the UMR-PRU model

V Koulocheris, M Koliva, V Louli, E Voutsas - Fluid Phase Equilibria, 2024 - Elsevier
In this work, the UMR-PRU model is extended to refrigerant mixtures. Key properties of pure
refrigerants, such as vapor pressure, saturated volume, heat capacity and enthalpy of …

Wetting properties of molecularly rough surfaces

M Svoboda, A Malijevský, M Lísal - The Journal of chemical physics, 2015 - pubs.aip.org
We employ molecular dynamics simulations to study the wettability of nanoscale rough
surfaces in systems governed by Lennard-Jones (LJ) interactions. We consider both smooth …

All-Atom Force Field for the Prediction of Vapor− Liquid Equilibria and Interfacial Properties of HFA134a

RPS Peguin, G Kamath, JJ Potoff… - The Journal of Physical …, 2009 - ACS Publications
A new all-atom force field capable of accurately predicting the bulk and interfacial properties
of 1, 1, 1, 2-tetrafluoroethane (HFA134a) is reported. Parameterization of several force fields …

Comparison between the intermolecular interactions in the liquid and solid forms of propellant 1, 1, 1, 2–Tetrafluoroethane

VW Barron, CW Yong, A Slowey, IT Todorov… - Journal of Molecular …, 2023 - Elsevier
A multitude of metered dose inhaler (MDI) formulation properties, such as permanent
particle growth or separation, can affect the device's drug delivering performance. 1, 1, 1, 2 …

Molecular dynamics studies of hydrofluorocarbons in faujasite-type zeolites: Modeling guest-induced cation migration in dry zeolites

E Jaramillo, CP Grey, SM Auerbach - The Journal of Physical …, 2001 - ACS Publications
We have developed and applied a new force field for simultaneously modeling the dynamics
of hydrofluorocarbons (HFCs) and exchangeable Na cations in faujasite-type zeolites. Our …