Solubility Parameter of Fluids from Molecular Thermodynamic Model

Authors

  • Falamarz Akbari aDepartment of Chemistry, Shiraz University of Technology, Shiraz, 71555-313, Iran
Abstract:

The modified square well Potential is combined with perturbed-hard-trimer-chain (PHTC) EOS to predict the solubility parameter of several fluids including alkanes, refrigerants and molten polymers. The performance of the proposed model has been evaluated by predicting the solubility parameter of 12 hydrocarbons,3 refrigerants, and 12 polymers. From the 263 data points for hydrocarbons and refrigerants, the average absolute deviations (AAD) of the predicted densities and solubility parameter from the experimental ones were found to be 1.74% and 1.09% respectively. Besides, from 1993 data points of 12 polymers, the AADs of the predicted densities were found to be 0.43%and for 60 data points examined, the AAD of the predicted solubility parameters from the experimental ones were found 0.56%, respectively.

Upgrade to premium to download articles

Sign up to access the full text

Already have an account?login

similar resources

Thermodynamic model for mineral solubility in aqueous fluids: theory, calibration and application to model fluidflow systems

We present a thermodynamic model for mineral dissolution in aqueous fluids at elevated temperatures and pressures, based on intrinsic thermal properties and variations of volumetric properties of the aqueous solvent. The standard thermodynamic properties of mineral dissolution into aqueous fluid consist of two contributions: one from the energy of transformation from the solid to the hydrated-s...

full text

The Solubility of Potassium Sulfate in Thermodynamic view

The solubility of K2SO4 in water at 25°C was determined. Comparing the value ofthermodynamic solubility product constant, Ksp(th), (Ksp(th) = exp (-ΔGodiss RT) of the mentionedsalt to the value of concentration solubility product, Ksp(c) which is obtained from the observedsolubility, s/moL-1, Ksp(c) = 4s3, revealed a great difference. The difference can be satisfactorilyexplained using Debye- H...

full text

Thermodynamic Limit for Polydisperse Fluids

We examine the thermodynamic limit of fluids of hard core particles that are polydisperse in size and shape. In addition, particles may interact magnetically. Free energy of such systems is a random variable because it depends on the choice of particles. We prove that the thermodynamic limit exists with probability 1, and is independent of the choice of particles. Our proof applies to polydispe...

full text

Lennard-Jones Energy Parameter for Pure Fluids from Scaled Particle Theory

By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT)  based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...

full text

Nucleobases in Supercritical Fluids: Solubility, Molecular Beam Expansion, and Surface Deposition

Supercritical fluids have found applications in a wide variety of fields, from solvents for reaction media to engineering of nanoparticles. They are also of interest in the analytical field for transferring non-volatile organic molecules into the gas phase for detection and deposition purposes. This work highlights the use of supercritical fluids as an analytical tool for the transfer of a grou...

full text

My Resources

Save resource for easier access later

Save to my library Already added to my library

{@ msg_add @}


Journal title

volume 6  issue 2

pages  295- 307

publication date 2018-06-01

By following a journal you will be notified via email when a new issue of this journal is published.

Hosted on Doprax cloud platform doprax.com

copyright © 2015-2023