Ten years with the CPA (Cubic-Plus-Association) equation of state. Part 1. Pure compounds and self-associating systems

GM Kontogeorgis, ML Michelsen… - Industrial & …, 2006 - ACS Publications
CPA (Cubic-Plus-Association) is an equation of state that is based on a combination of the
Soave− Redlich− Kwong (SRK) equation with the association term of the Wertheim theory …

Modeling of polar systems using PCP-SAFT: An approach to account for induced-association interactions

M Kleiner, G Sadowski - The Journal of Physical Chemistry C, 2007 - ACS Publications
The perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state is
applied to mixtures containing polar as well as associating components where cross …

Mutual solubilities of hydrocarbons and water with the CPA EoS

MB Oliveira, JAP Coutinho, AJ Queimada - Fluid Phase Equilibria, 2007 - Elsevier
The knowledge of hydrocarbon/water phase equilibria is important in the design and
operation of equipment for petroleum transport and refining and petrochemical plants. The …

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. I. Mixtures with H2S

I Tsivintzelis, GM Kontogeorgis, ML Michelsen… - AIChE …, 2010 - Wiley Online Library
Abstract The Cubic‐Plus‐Association (CPA) equation of state is applied to a large variety of
mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S …

Modeling the fluid phase behavior of carbon dioxide in aqueous solutions of monoethanolamine using transferable parameters with the SAFT-VR approach

N Mac Dowell, F Llovell, CS Adjiman… - Industrial & …, 2010 - ACS Publications
The current method of choice for large-scale carbon dioxide (CO2) capture is amine-based
chemisorption, typically in packed columns, with the benchmark solvent being aqueous …

Study of the impact of high temperatures and pressures on the equilibrium densities and interfacial tension of the carbon dioxide/water system

LMC Pereira, A Chapoy, R Burgass, MB Oliveira… - The Journal of Chemical …, 2016 - Elsevier
The development of successful and economical CO 2 geological storage projects requires a
precise estimation of the saturated phase densities and interfacial tension of the CO 2/H 2 O …

A unified thermodynamic framework to compute the hydrate formation conditions of acidic gas/water/alcohol/electrolyte mixtures up to 186.2 MPa

W Jia, F Yang, C Li, T Huang, S Song - Energy, 2021 - Elsevier
The coexistence of acid gas/water/alcohol/electrolyte mixtures is common during the gas
production process. Traditional methods have difficulty accurately predicting hydrate …

Interfacial properties of the aromatic hydrocarbon+ water system in the presence of hydrophilic silica

Y Yang, AKN Nair, MFAC Ruslan, S Sun - Journal of Molecular Liquids, 2022 - Elsevier
Molecular dynamics simulations and density gradient theory are used to get insights into the
interfacial behavior of the aromatic hydrocarbon+ H 2 O and aromatic hydrocarbon+ H 2 O+ …

Phase equilibria of glycerol containing systems and their description with the Cubic-Plus-Association (CPA) Equation of State

MB Oliveira, ARR Teles, AJ Queimada… - Fluid Phase Equilibria, 2009 - Elsevier
Biodiesel is nowadays in Europe the most used biofuel for road transportation. During its
production, different separation and purification processes are required for the glycerol rich …

A methodology to parameterize SAFT-type equations of state for solid precursors of deep eutectic solvents: The example of cholinium chloride

EA Crespo, LP Silva, JO Lloret, PJ Carvalho… - Physical Chemistry …, 2019 - pubs.rsc.org
Given the recent boom of applications for deep eutectic solvents (DES), there is a need for
robust and accurate thermodynamic models that are able to describe them. Recent works …