[PDF][PDF] GEM-Selektor geochemical modeling package: TSolMod library and data interface for multicomponent phase models
T Wagner, DA Kulik, FF Hingerl… - The Canadian …, 2012 - researchgate.net
The development of highly accurate and computationally efficient modeling software based
on Gibbs energy minimization (GEM) makes it possible to thermodynamically simulate …
on Gibbs energy minimization (GEM) makes it possible to thermodynamically simulate …
Solubility of CO2 in 15, 30, 45 and 60 mass% MEA from 40 to 120 C and model representation using the extended UNIQUAC framework
New experimental data for vapor–liquid equilibrium of CO2 in aqueous monoethanolamine
solutions are presented for 15, 30, 45 and 60 mass% MEA and from 40 to 120° C. CO2 …
solutions are presented for 15, 30, 45 and 60 mass% MEA and from 40 to 120° C. CO2 …
An electrolyte CPA equation of state for mixed solvent electrolytes
B Maribo‐Mogensen, K Thomsen… - AIChE …, 2015 - Wiley Online Library
Despite great efforts over the past decades, thermodynamic modeling of electrolytes in
mixed solvents is still a challenge today. The existing modeling frameworks based on activity …
mixed solvents is still a challenge today. The existing modeling frameworks based on activity …
Modeling salt behavior with ECOS/RUNSALT: Terminology, methodology, limitations, and solutions
Damage to porous materials in heritage buildings caused by salt mixture crystallization is
driven by the surrounding environmental conditions. To understand the crystallization …
driven by the surrounding environmental conditions. To understand the crystallization …
Modeling the fluid phase behavior of carbon dioxide in aqueous solutions of monoethanolamine using transferable parameters with the SAFT-VR approach
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 …
chemisorption, typically in packed columns, with the benchmark solvent being aqueous …
Thermodynamics of solvent-driven water extraction from hypersaline brines using dimethyl ether
Solvent-driven water extraction (SDWE) has promising applications in hypersaline brine
desalination, including zero-liquid discharge processing for industrial wastewaters, and …
desalination, including zero-liquid discharge processing for industrial wastewaters, and …
Extended UNIQUAC model for correlation and prediction of vapour–liquid–solid equilibria in aqueous salt systems containing non-electrolytes. Part A. Methanol …
The Extended UNIQUAC model has previously been used to describe the excess Gibbs
energy for aqueous electrolyte mixtures. It is an electrolyte model formed by combining the …
energy for aqueous electrolyte mixtures. It is an electrolyte model formed by combining the …
Modeling of carbon dioxide absorption by aqueous ammonia solutions using the extended UNIQUAC model
V Darde, WJM van Well, EH Stenby… - Industrial & …, 2010 - ACS Publications
An upgraded version of the extended UNIQUAC thermodynamic model for the carbon
dioxide− ammonia− water system has been developed, on the basis of the original version …
dioxide− ammonia− water system has been developed, on the basis of the original version …
Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR …
J Rodriguez, N Mac Dowell, F Llovell… - Molecular …, 2012 - Taylor & Francis
Among the many applications that alkanolamines find in industry, carbon dioxide (CO2)
capture from large stationary sources is becoming the most relevant. Aqueous mixtures of …
capture from large stationary sources is becoming the most relevant. Aqueous mixtures of …
Modeling electrolyte solutions with the extended universal quasichemical (UNIQUAC) model
K Thomsen - Pure and applied chemistry, 2005 - degruyter.com
The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for
solutions containing electrolytes and nonelectrolytes. The model is a Gibbs excess function …
solutions containing electrolytes and nonelectrolytes. The model is a Gibbs excess function …