### Abstract

A theory of mixtures based on a statistical mechanical perturbation scheme is used to compute the excess free energy of mixing, the excess entropy of mixing and the concentration fluctuations in the long wavelength limit as functions of composition (c) over a wide range of temperature (T = 150 to 350 K) and pressure (p = 10 MPa to 10 GPa). This has been utilized to investigate the effects of c, T and p on the solubility of H2 (the first element of the periodic table) to He, Ne and Ar (the first three elements of the last group) and the thermodynamic stability of the mixture. The long-range correlations among the constituent species are included through the double Yukawa potential which acts as a perturbation to the hard sphere reference mixture. The non-additivity of the potentials of the constituent species is linked to the second virial coefficients which can be determined from the experimental data. Necessary corrections to the equation of state for dimerisation of H2 molecule and quantum effects are included. At a given T = 150 K and p = 100 MPa, H2-Ar mixture exhibits greater thermodynamic stability than H2-Ne and H2-Ar.

Original language | English |
---|---|

Pages (from-to) | 1721-1732 |

Number of pages | 12 |

Journal | Molecular Physics |

Volume | 106 |

Issue number | 14 |

DOIs | |

Publication status | Published - Jul 2008 |

### Fingerprint

### Keywords

- Fluids
- Free energy
- Mixtures
- Solubility
- Stability

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Biophysics
- Molecular Biology

### Cite this

**Stability of the H _{2}-(He, Ne, Ar) fluid mixtures.** / Osman, S. M.; Singh, R. N.; Ali, I.

Research output: Contribution to journal › Article

_{2}-(He, Ne, Ar) fluid mixtures',

*Molecular Physics*, vol. 106, no. 14, pp. 1721-1732. https://doi.org/10.1080/00268970802050402

_{2}-(He, Ne, Ar) fluid mixtures. Molecular Physics. 2008 Jul;106(14):1721-1732. https://doi.org/10.1080/00268970802050402

}

TY - JOUR

T1 - Stability of the H2-(He, Ne, Ar) fluid mixtures

AU - Osman, S. M.

AU - Singh, R. N.

AU - Ali, I.

PY - 2008/7

Y1 - 2008/7

N2 - A theory of mixtures based on a statistical mechanical perturbation scheme is used to compute the excess free energy of mixing, the excess entropy of mixing and the concentration fluctuations in the long wavelength limit as functions of composition (c) over a wide range of temperature (T = 150 to 350 K) and pressure (p = 10 MPa to 10 GPa). This has been utilized to investigate the effects of c, T and p on the solubility of H2 (the first element of the periodic table) to He, Ne and Ar (the first three elements of the last group) and the thermodynamic stability of the mixture. The long-range correlations among the constituent species are included through the double Yukawa potential which acts as a perturbation to the hard sphere reference mixture. The non-additivity of the potentials of the constituent species is linked to the second virial coefficients which can be determined from the experimental data. Necessary corrections to the equation of state for dimerisation of H2 molecule and quantum effects are included. At a given T = 150 K and p = 100 MPa, H2-Ar mixture exhibits greater thermodynamic stability than H2-Ne and H2-Ar.

AB - A theory of mixtures based on a statistical mechanical perturbation scheme is used to compute the excess free energy of mixing, the excess entropy of mixing and the concentration fluctuations in the long wavelength limit as functions of composition (c) over a wide range of temperature (T = 150 to 350 K) and pressure (p = 10 MPa to 10 GPa). This has been utilized to investigate the effects of c, T and p on the solubility of H2 (the first element of the periodic table) to He, Ne and Ar (the first three elements of the last group) and the thermodynamic stability of the mixture. The long-range correlations among the constituent species are included through the double Yukawa potential which acts as a perturbation to the hard sphere reference mixture. The non-additivity of the potentials of the constituent species is linked to the second virial coefficients which can be determined from the experimental data. Necessary corrections to the equation of state for dimerisation of H2 molecule and quantum effects are included. At a given T = 150 K and p = 100 MPa, H2-Ar mixture exhibits greater thermodynamic stability than H2-Ne and H2-Ar.

KW - Fluids

KW - Free energy

KW - Mixtures

KW - Solubility

KW - Stability

UR - http://www.scopus.com/inward/record.url?scp=53349129736&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=53349129736&partnerID=8YFLogxK

U2 - 10.1080/00268970802050402

DO - 10.1080/00268970802050402

M3 - Article

VL - 106

SP - 1721

EP - 1732

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 14

ER -