Scaled particle theory of gas solubility — inclusion of the temperature dependent hard sphere term

1982 ◽  
Vol 60 (14) ◽  
pp. 1896-1900 ◽  
Author(s):  
Bruce A. Cosgrove ◽  
John Walkley
Keyword(s):  
Temperature Dependence ◽  
Hard Sphere ◽  
Inert Gases ◽  
Scaled Particle Theory ◽  
Sphere Diameter ◽  
Gas Solubility ◽  
Particle Theory ◽  
Temperature Dependent ◽  
Limiting Behaviour ◽  
Self Consistency

The limiting behaviour of the scaled particle theory (spt) of gas solubility has been examined for the inert gases in a range of solvents. The hard sphere limit is shown to exhibit thermodynamic self-consistency only with the inclusion of an effective hard sphere diameter temperature dependence whereas the original spt (exclusion of a temperature dependence) fails to extrapolate to the correct hard sphere limit. Furthermore, inclusion of the temperature dependence yields correct thermodynamic properties for gases of small atomic diameter (and well depth potential) as would be expected from a hard sphere based theory.

Solubility of non-polar gases in cyclohexanone between 273.15 and 303.15 K at 101.32 kPa partial pressure of gas

1987 ◽  
Vol 65 (9) ◽  
pp. 2198-2202 ◽  
Author(s):  
María Asunción Gallardo ◽  
José María Melendo ◽  
José Santiago Urieta ◽  
Celso Gutierrez Losa
Keyword(s):  
Gibbs Energy ◽  
Partial Pressure ◽  
Temperature Dependence ◽  
Hard Sphere ◽  
Scaled Particle Theory ◽  
Sphere Diameter ◽  
Particle Theory ◽  
Enthalpy And Entropy

Solubility measurements of several non-polar gases (He, Ne, Ar, Kr, Xe, H2, D2, N2, O2, C2H4, C2H6, CF4, SF6, andCO2) in cyclohexanone at 273.15 to 303.15 K and a partial pressure of gas of 101.32 kPa, are reported. Gibbs energy, enthalpy, and entropy of solution at 298.15 K and 101.32 kPa partial pressure of gas were evaluated. Effective hard-sphere diameter temperature dependence has been studied and its effect on the calculated SPT (Scaled Particle Theory) solubilities, and enthalpies and entropies of solution was also examined.

Solubility of nonpolar gases in 2-methylcyclohexanone between 273.15 and 303.15 K at 101.32 kPa partial pressure of gas

1989 ◽  
Vol 67 (5) ◽  
pp. 809-811 ◽  
Author(s):  
Maria Asuncion Gallardo ◽  
Maria del Carmen Lopez ◽  
Jose Santiago Urieta ◽  
Celso Gutierrez Losa
Keyword(s):  
Partial Pressure ◽  
Thermodynamic Functions ◽  
Solution Process ◽  
Pair Potential ◽  
Scaled Particle Theory ◽  
Sphere Diameter ◽  
Gas Solubility ◽  
Particle Theory ◽  
Potential Parameters ◽  
Solubility Of Nonpolar Gases

Solubility measurements of several nonpolar gases (He, Ne, Ar, Kr, Xe, H2, D2, N2, CH4, C2H4, C2H6, CF4, SF6, and CO2) in 2-methylcyclohexanone at 273.15–303.15 K and a partial pressure of gas of 101.32 kPa are reported. Thermodynamic functions (Gibbs energy, enthalpy, and entropy) for the solution process at 298.15 K and 101.32 kPa partial pressure of gas are evaluated. Use is made of the Scaled Particle Theory applied to gas solubility for determining Lennard-Jones (6, 12) pair-potential parameters and temperature dependence of the effective hard-sphere diameter of the solvent. The values that this theory predicts for the solution thermodynamic functions are also calculated. Keywords: 2-methylcyclohexanone, gas solubility, thermodynamic functions of solution, Henry coefficient, scaled particle theory.

Solubility of carbon dioxide in water–t-butanol solutions

1985 ◽  
Vol 63 (12) ◽  
pp. 3403-3410 ◽  
Author(s):  
Peeter Kruus ◽  
Catherine A. Hayes
Keyword(s):  
Carbon Dioxide ◽  
Activity Coefficient ◽  
Mole Fraction ◽  
Scaled Particle Theory ◽  
Gas Solubility ◽  
Particle Theory ◽  
Temperature Dependent ◽  
Solution Composition ◽  
Governing Factor ◽  
Tertiary Butanol

The solubility of carbon dioxide has been determined in tertiary butanol – water mixtures over the temperature range 1–25 °C. The solubility exhibits a sharp, temperature-dependent minimum in water-rich solutions corresponding to a maximum in the activity coefficient of t-butanol, which has also been determined. The activity coefficient of t-butanol has a prominent temperature-dependent maximum (γ > 7.0) at a solution composition of about 0.06 mole fraction alcohol. Application of the scaled particle theory indicates that volume effects are a governing factor in the gas solubility, but are insufficient to explain the total effect. The pH of t-butanol–water and t-butanol–water–CO2 mixtures reveals no major anomalous solvation effect.

scholarly journals Scaled particle theory for hard sphere pairs. II. Numerical analysis

2006 ◽  
Vol 125 (20) ◽  
pp. 204505 ◽  
Author(s):  
Swaroop Chatterjee ◽  
Pablo G. Debenedetti ◽  
Frank H. Stillinger
Keyword(s):  
Numerical Analysis ◽  
Hard Sphere ◽  
Scaled Particle Theory ◽  
Particle Theory

Fluids in random porous media: Scaled particle theory

2012 ◽  
Vol 85 (1) ◽  
pp. 115-133 ◽  
Author(s):  
Myroslav Holovko ◽  
Taras Patsahan ◽  
Wei Dong
Keyword(s):  
Porous Media ◽  
Thermodynamic Properties ◽  
Hard Sphere ◽  
Chemical Potential ◽  
Critical Density ◽  
Critical Parameters ◽  
Scaled Particle Theory ◽  
Particle Theory ◽  
Confined Fluid ◽  
Random Porous Media

The scaled particle theory (SPT) is applied to describe thermodynamic properties of a hard sphere (HS) fluid in random porous media. To this purpose, we extended the SPT2 approach, which has been developed previously. The analytical expressions for the chemical potential of an HS fluid in HS and overlapping hard sphere (OPH) matrices, sponge matrix, and hard convex body (HCB) matrix are obtained and analyzed. A series of new approximations for SPT2 are proposed. The grand canonical Monte Carlo (GGMC) simulations are performed to verify an accuracy of the SPT2 approach combined with the new approximations. A possibility of mapping between thermodynamic properties of an HS fluid in random porous media of different types is discussed. It is shown that thermodynamic properties of a fluid in the different matrices tend to be equal if the probe particle porosities and the specific surface pore areas of considered matrices are identical. The obtained results for an HS fluid in random porous media as reference systems are used to extend the van der Waals equation of state to the case of a simple fluid in random porous media. It is observed that a decrease of matrix porosity leads to lowering of the critical temperature and the critical density of a confined fluid, while an increase of a size of matrix particles causes an increase of these critical parameters.

Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media

2016 ◽  
Vol 120 (24) ◽  
pp. 5491-5504 ◽  
Author(s):  
W. Chen ◽  
S. L. Zhao ◽  
M. Holovko ◽  
X. S. Chen ◽  
W. Dong
Keyword(s):  
Porous Media ◽  
Hard Sphere ◽  
Scaled Particle Theory ◽  
Particle Theory ◽  
Random Porous Media

Temperature Dependent Structural Properties of Liquid Ga

2016 ◽  
Vol 1141 ◽  
pp. 29-33 ◽  
Author(s):  
Amit B. Patel ◽  
Nisarg K. Bhatt ◽  
Brijmohan Y. Thakore
Keyword(s):  
Structural Properties ◽  
Structure Factor ◽  
Hard Sphere ◽  
Pair Correlation ◽  
Pair Potential ◽  
Delta Function ◽  
Packing Fraction ◽  
Sphere Diameter ◽  
Temperature Dependent ◽  
Effective Pair

We present the calculation of structural properties for liquid Ga at different temperatures using pseudopotential theory. The temperature dependence of structure factor has been determined using the hard-sphere Percus-Yevick approximation which is characterized by single parameter hard sphere diameter or equivalently packing fraction. The temperature dependent hard-sphere diameter σ (T) is estimated using criterion from the calculated effective pair potential. The modified empty-core pseudopotential due to Hasegawa et al. (J. Non-Cryst. Solids. 117/118 (1990) 300), which is valid for all electrons and contains the repulsive delta function to achieve the necessary s-pseudisation is used for electron–ion interaction. The temperature effects have been studied via dimensionless damping term and potential parameter in the pair potential. Finally, the predicted results for structure factor, pair correlation function and coordination numbers have been compared with recent available data, and a good agreement has been achieved.

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