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Calculations of the second virial coefficients for water and ammonia

机译:Calculations of the second virial coefficients for water and ammonia

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General theoretical results obtained in the preceding paper for the ordinary and the dielectric second virial coefficients of polarizable polar molecules were utilized in a calculation of these quantities for water and ammonia. For these molecules the following was found: Rotational quantum effects are appreciable even at 300deg;K and higher; the dipolehyphen;induced dipole energy plays an important role in the calculation; and the available data can be fit using two sharply different potential functions that differ by a factor of roughly 10 in the Lennardhyphen;Jones well depth parameters chosen. Excepting the quantum effect, it is argued that the virial coefficients will behave similarly for any strongly polar molecule. It is noted that experimental data are surprisingly sparce for these two important molecules, especially in the case of the dielectric virial coefficients.

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