Modeling ionic liquids and the solubility of gases in them: Recent advances and perspectives
The fascinating properties of ionic liquids, their versatility for different applications and their
highly non-ideal behavior have promoted the study of these systems from different …
highly non-ideal behavior have promoted the study of these systems from different …
Viscosity models for pure hydrocarbons at extreme conditions: A review and comparative study
Viscosity is a critical fundamental property required in many applications in the chemical and
oil industries. In this review the performance of seven select viscosity models, representative …
oil industries. In this review the performance of seven select viscosity models, representative …
Recent advances and applications of statistical associating fluid theory
This review presents recent advances and applications of statistical associating fluid theory
(SAFT), which has been extended in the past few years, conceptually and practically, to …
(SAFT), which has been extended in the past few years, conceptually and practically, to …
Predicting the phase equilibria of CO2+ hydrocarbon systems with the PPR78 model (PR EOS and kij calculated through a group contribution method)
In 2004, we started to develop a group contribution method aimed at estimating the
temperature dependent binary interaction parameters (kij (T)) for the widely used Peng …
temperature dependent binary interaction parameters (kij (T)) for the widely used Peng …
Performance of non-aqueous amine hybrid solvents mixtures for CO2 capture: A study using a molecular-based model
We present here results regarding the chemisorption of CO 2 in non-aqueous hybrid
solvents of mixtures of amines and physical solvents such as glycols or glymes as …
solvents of mixtures of amines and physical solvents such as glycols or glymes as …
Evaluation of statistical associating fluid theory (SAFT) and perturbed chain-SAFT equations of state for the calculation of thermodynamic derivative properties of fluids …
Carbon capture and sequestration (CCS) technology is going to play an important role in the
countermeasures for climate change. The design of the relevant processes requires …
countermeasures for climate change. The design of the relevant processes requires …
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 …
Benchmark database containing binary-system-high-quality-certified data for cross-comparing thermodynamic models and assessing their accuracy
In the last two centuries, equations of state (EoSs) have become a key tool for the correlation
and prediction of thermodynamic properties of fluids. They not only can be applied to pure …
and prediction of thermodynamic properties of fluids. They not only can be applied to pure …
Free-volume theory coupled with soft-SAFT for viscosity calculations: comparison with molecular simulation and experimental data
The evaluation of phase equilibria and solubility properties through theoretical approaches
is a well-known field, where a significant amount of models are able to describe them with a …
is a well-known field, where a significant amount of models are able to describe them with a …
SAFT associating fluids and fluid mixtures
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 …
greatly since the time of van der Waals, there is little doubt that the systems of interest have …