Modeling soft interface dominated systems: A comparison of phase field and Gibbs dividing surface models

A Lamorgese, R Mauri, LMC Sagis - Physics Reports, 2017 - Elsevier
The two main continuum frameworks used for modeling the dynamics of soft multiphase
systems are the Gibbs dividing surface model, and the diffuse interface model. In the former …

Modeling solubility of CO2–N2 gas mixtures in aqueous electrolyte systems using artificial intelligence techniques and equations of state

R Nakhaei-Kohani, E Taslimi-Renani… - Scientific Reports, 2022 - nature.com
Determining the solubility of non-hydrocarbon gases such as carbon dioxide (CO2) and
nitrogen (N2) in water and brine is one of the most controversial challenges in the oil and …

Association theories for complex thermodynamics

GM Kontogeorgis - Chemical Engineering Research and Design, 2013 - Elsevier
Thermodynamics of complex systems (eg with associating molecules, multicomponent
mixtures, multiphase equilibria, wide ranges of conditions, estimation of many different …

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 water containing systems with the simplified PC-SAFT and CPA equations of state

X Liang, I Tsivintzelis… - Industrial & Engineering …, 2014 - ACS Publications
Numerous studies have been presented for modeling of water containing systems with the
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EOS), and …

SAFT associating fluids and fluid mixtures

C McCabe, A Galindo - 2010 - books.rsc.org
While we could argue that the goals of modelling fluid phase equilibria have not changed
greatly since the time of van der Waals, there is little doubt that the systems of interest have …

Review and new insights into the application of molecular-based equations of state to water and aqueous solutions

LF Vega, F Llovell - Fluid Phase Equilibria, 2016 - Elsevier
Water is a fascinating compound, essential to our life and present in most of the biological
and industrial systems. In spite of its importance, the particular features of water and the …

Capturing the Solubility Minima of n-Alkanes in Water by Soft-SAFT

LF Vega, F Llovell, FJ Blas - The Journal of Physical Chemistry B, 2009 - ACS Publications
The purpose of this work is twofold:(1) to provide an accurate molecular model for water
within the soft-SAFT equation of state [Blas, FJ; Vega, LF Mol. Phys. 1997, 92, 135; Llovell …

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s …

A Schulze-Hulbe, F Shaahmadi… - Industrial & …, 2023 - ACS Publications
Replacement of aqueous alkanolamine-based carbon capture fluids with nonaqueous
alternatives may be a promising route to reduce the energy requirements of current …

Solubility of flue gas or carbon dioxide-nitrogen gas mixtures in water and aqueous solutions of salts: Experimental measurement and thermodynamic modeling

A Hassanpouryouzband, MV Farahani… - Industrial & …, 2019 - ACS Publications
Over the past few decades, development of innovative techniques for carbon capture and
storage (CCS) from power plant flue gas has become imperative due to substantial increase …