Calculations of the second virial coefficients for water and ammonia

Journal Article · Tue Oct 15 04:00:00 EDT 1974 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.1682499· OSTI ID:6972012

MacRury, T B; Steele, W A

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 were found: rotational quantum effects are appreciable even at 300/sup 0/K and higher; the dipole-induced dipole energy plays an important role in the calculation; and the available data can be fit using 2 sharply different potential functions that differ by a factor of roughly 10 in the Lennard-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 sparse for these 2 important molecules, especially in the case of the dielectric virial coefficients. (15 refs.)

• Research Organization: Pennsylvania State Univ.
• OSTI ID: 6972012
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 61:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

090310* -- Inorganic Hydrogen Compound Fuels-- Properties-- (1976-1989)
10 SYNTHETIC FUELS
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
AMMONIA
DIELECTRIC PROPERTIES
ELECTRICAL PROPERTIES
ENGINEERING
ENTHALPY
FORMATION HEAT
HYDRIDES
HYDROGEN COMPOUNDS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
RESERVOIR ENGINEERING
THERMODYNAMIC PROPERTIES
WATER