Solubility of gases in water: Correlation between solubility and the number of water molecules in the first solvation shell

@article{Scharlin1998SolubilityOG,
  title={Solubility of gases in water: Correlation between solubility and the number of water molecules in the first solvation shell},
  author={Pirketta Scharlin and Rubin Battino and Estanislao Silla and I{\~n}aki Tu{\~n}{\'o}n and Juan Luis Pascual-Ahuir},
  journal={Pure and Applied Chemistry},
  year={1998},
  volume={70},
  pages={1895 - 1904}
}
Using a new version of a program called GEPOL, a consistent set of values for areas of three different kinds of surfaces for 53 gaseous solutes was computed by Silla et al. These surface areas, together with the volumes of space enclosed by the surfaces, are reported in the present paper. The three surfaces are the van der Waals Surface (WS), the Solvent Accessible Surface (SAS) and the Solvent-Excluding Surface (SES). Values for the number of water molecules (N) in the first solvation shell… Expand

Figures and Tables from this paper

Novel correlation for solubility of gases in polymers: effect of molecular surface area of gases
Novel correlations are proposed for the solubility coefficients of gases (S) as well as the parameters of the dual mode sorption isotherms k D and b in polymers. They are based on the concept ofExpand
Molecular dynamics characterization of the water-methane, ethane, and propane gas mixture interfaces
Abstract The co-existing natural gas and water bulk phases arise in a wide range of technological and environmental processes. The liquid-gas mixture is separated by an interface which plays aExpand
Critical Size for Guest Molecules to Occupy Dodecahedral Cage of Clathrate Hydrates
The five different structure-I hydrates were formed using the following five different guest substances:  methane, fluoromethane, difluoromethane, trifluoromethane, and tetrafluoromethane, for theExpand
Surface of water films and nonodroplets: Structure, dynamics and forces
Molecular dynamics computer simulation of water films and small droplets in equilibrium with water vapour and under He or Ar pressure has been performed. The surface of the films and droplets is veryExpand
Continual Model of Solvent : the DISOLV Software — Algorithms , Implementation , and Validation
Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening МОdel (COSMO) as well asExpand
A continuum solvent model: the DISOLV program - algorithms, implementation, and validation
Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born model (SGB), and the COnductor-like Screening model (COSMO) as well asExpand
Recurrent relations for the approximation of the physicochemical constants of homologues
In addition to the earlier revealed physicochemical constants of homologues whose changes in arbitrary series obey the simplest linear recurrent relations A (n + k) = aA(n) + b, such equations areExpand
Second osmotic virial coefficient from the two-component van der Waals equation of state.
TLDR
It is shown here how the function z(2)(ρ(2), z(1, T) required to obtain the second osmotic virial coefficient B from an expansion in ρ(2) may be obtained from an equation of state of the form p = p(ρ(1), ρ (2), T) with τ(1) the solvent density, and also how the analogous coefficient B' in the fixed-p expansion may be so obtained. Expand
Modeling and predicting solubility of n-alkanes in water
Abstract Accurate knowledge on the phase equilibrium of hydrocarbons and water is needed to design and operate gas, petroleum and petrochemical plants. Usually famous simulation softwares are used toExpand
Phase equilibrium for methane, ethane and carbon dioxide hydrates at pressures up to 100 MPa through high-pressure microcalorimetry: Experimental data, analysis and modeling
Abstract New experimental dissociation data for CH4, C2H6, and CO2 hydrates obtained by high-pressure microcalorimetry (HP-μDSC) up to 100 MPa are presented. Deviations of onset, peak, and endsetExpand
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 10 REFERENCES
Physical properties of alternatives to the fully halogenated chlorofluorocarbons
Presented here are recommended values and correlations of selected physical properties of several alternatives to the fully halogenated chlorocarbons. The quality of the data used in this compilationExpand
IUPAC Solubility Data Series, Vol. 24. Propane
  • Butane and 2-Methylpropane,
  • 1986
SOLUBILITY DATA SERIES
Approximate Molecular Orbital Theory, Table 4.16
  • QCPE Program No
  • 1981
Freon Product Information B-2
  • “Freon ” Fluorocarbons, Properties and Applications,
  • 1969
H . M . Parmelee
  • 1969