The simplified perturbed chain statistical associating fluid theory (sPC-SAFT) Equation of State (EOS) was proposed to describe the thermodynamic properties of pure ionic liquids (ILs). A set of sPC-SAFT parameters for 2 ILs was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. Good agreement with experimental density data was o...

ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. The present paper describes two major software enhancements to TDE: (1) generation of equation of state (EOS) representations on demand and (2) establishment of a dynamically updated experimental data resource for use in the critical evaluation pr...

the simplified perturbed chain statistical associating fluid theory (spc-saft) equation of state (eos) was proposed to describe the thermodynamic properties of pure ionic liquids (ils). a set of spc-saft parameters for 2 ils was obtained by fitting the experimental liquid densities data over a wide range of temperature at atmospheric pressure. good agreement with experimental density data was o...

High-pressure phase equilibrium and volumetric properties of highly asymmetric mixtures related to reservoir fluids are critical the development high-pressure high-temperature (HPHT) reservoirs. However, there is a lack relevant data accurate modeling tools. In this work, we prepared pseudo-binary methane (CH4) + stock tank oil (STO) systematically measured their densities at temperatures from ...

Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) coupled with the Young-Laplace equation is a recently developed equation of state (EOS) that successfully presents not only the capillary condensation but also the pore critical phenomena. The development of this new EOS allows further investigation of the heats involved in condensation. Compared to the conventional approaches, the ...

In this paper, we present a systematic review of the perturbed-chain statistical associating fluid theory equation state (PC-SAFT) EoS for thermodynamic modeling with application in asphaltene phase behavior simulation. The SAFT and its modified version known as PC-SAFT is briefly introduced. Then, uses tool highlighted. Crude oil characterization methods procedures are described focus on SARA-...

A framework to self-consistently combine a classical equation of state (EoS) and molecular force field model polymers polymer mixtures is presented. The statistical associating fluid theory (SAFT- γ Mie) used correlate the thermophysical properties oligomers generate robust transferrable coarse-grained (CG) parameters which can be both in particle based simulations equations calculations. Examp...

This work demonstrates the need for accurate thermodynamic models to reliably quantify changes in thermophysical properties of natural gas when blended with hydrogen. For this purpose, a systematic evaluation was carried out on predictive accuracy three well-known models, Peng–Robinson equation state (EoS), multiparameter empirical GERG-2008 model, and molecular-based polar soft-SAFT EoS, descr...

Small changes in temperature or pressure can lead to crude oil phase separation and multiple orders of magnitude change viscosity. The one-parameter friction theory framework using the SARA-based method with perturbed-chain statistical association fluid (PC-SAFT) EoS has proven have high accuracy viscosity predictions light oil. However, it failed for heavy In this work, above model is modified...

Electrolyte thermodynamics is a complex and broad subject of immense importance in very diverse applications. The models proposed for electrolyte solutions have some similarities to those non-electrolytes but also significant differences. Not just due additional contributions because the way are developed electrolytes vs. non-electrolytes. Moreover, there still fundamental issues unresolved the...