ESTIMATING THE SECOND VIRIAL COEFFICIENTS OF SOME REAL GAS MIXTURES AND RELATED THERMODYNAMIC VIEWS

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BAGHERNEJAD M.; ZARE K.

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Paper Information

Journal: JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY Year:2013 | Volume:10 | Issue:3 Page(s): 161-169

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Title

ESTIMATING THE SECOND VIRIAL COEFFICIENTS OF SOME REAL GAS MIXTURES AND RELATED THERMODYNAMIC VIEWS

Author(s)

BAGHERNEJAD M. | ZARE K. | Issue Writer Certificate

Keywords

INTERACTION ENERGYQ1

LENNARDQ2

JONES POTENTIALQ2

VIRIAL COEFFICIENTQ2

Abstract

Using the Gaussian 2003 software and MP2/6-311+ G method for the C2H4: O2, CO:Cl2 and CO2:CO2 pairs and MP2/6-311++G** method for the CO2:H2O pair and B3lyp/6-31G method for the O2:O2 pair the optimized interaction energies between two considered pair molecules of studied gases (C2H4:O2, CO:Cl2, CO2:H2O, O2:O2 and CO2:CO2 pairs) as a function of the distances between the centers of two considered molecules were evaluated and the results were interpreted according to the LENNARD-Jones equation. In addition, the second VIRIAL COEFFICIENT of each pair gas was calculated upon the appropriate equations of statistical thermodynamics. The resultant coefficients were almost comparable with those are available in the literature.

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APA: Copy

BAGHERNEJAD, M., & ZARE, K.. (2013). ESTIMATING THE SECOND VIRIAL COEFFICIENTS OF SOME REAL GAS MIXTURES AND RELATED THERMODYNAMIC VIEWS. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, 10(3), 161-169. SID. https://sid.ir/paper/207684/en

Vancouver: Copy

BAGHERNEJAD M., ZARE K.. ESTIMATING THE SECOND VIRIAL COEFFICIENTS OF SOME REAL GAS MIXTURES AND RELATED THERMODYNAMIC VIEWS. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY[Internet]. 2013;10(3):161-169. Available from: https://sid.ir/paper/207684/en

IEEE: Copy

M. BAGHERNEJAD, and K. ZARE, “ESTIMATING THE SECOND VIRIAL COEFFICIENTS OF SOME REAL GAS MIXTURES AND RELATED THERMODYNAMIC VIEWS,” JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, vol. 10, no. 3, pp. 161–169, 2013, [Online]. Available: https://sid.ir/paper/207684/en

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