Th e in termol ecul ar force constants for a 6-12 Le nn ard-Jones potent ial model ha ve been co mpu ted [or a il' from second viri ai coeffici ents d erived from exp erimental pressure-volumetemperat ure m ea surements. Ni tro ge n : oxyge n intera ction second virial coeffi cie nts a nd in teraetion f01;ce constan ts have also been derived.The following symbols are used throughout the paper: Z = Compress ibili ty factor , P v/ RT, dimensionless. p = Absolu te press ure. V = Molar volume, cm3/ mole. R = Uni versa l gas cons ta nt, in uni ts of P v/T . T = Absolute te mperature. The t ri ple poin t of water is d efin ed as T = 273 .16°K. B = beco nd viri al coeffi cien t, em 3/ mole. C = Third virial coeffi cient, cmo/ mole 2. D = F our t h viria l coeffi cient, cm 9/ mo le 3. E = Fifth viria l coeffi cien t , cm 12/mole '. '0 = M ax imum energy of bin d in g between a pa il' o f molec ules wit h a L ennard-J ones po tent ia l. k = Boltz ma nn's co nsta nt . • = P okl ntial energy of t wo interacting molec ules. 1' = Sepa rat ion be t wee n cen ter s of t wo inter actin g molec ules. ro = Coll is io n di a meter of a pail' of molec ules at max imum e ne rgy, '0, of Lenn ard-Jones in teraction.Compressibility factors for dry ail' have b een d et er mined exp erim en t ally and ar e r eported elsewher e [1 ].2 B~r fitting the P-v-T data to a K am erlingh -Onnes vi rial equation of stat e the virial coefficients B , 0, D , and E wer e determined at various temp eratures in the r egion b etween the critical and 0° C. These are tabulat ed in t able 1.The second virial coefficients of nonpolar mixtures can b e d erived, to a good approximation, from the force constants of the pure components [2 , 3]. If we assume that the intermolecular forces of th e pure constitu ents of dry air (N 2 , O2, and A) can be described b y a L ennard-Jones model, then we may d efine pseudoforce constants for the air mixture: then , from eq (2) and (3 ), (Eo/k)a1r = 100.8° and ba1 r= 60.82 cm 3 /mole .These 6-12 L ennard-Jones pseudoforce constan ts can th en b e used to compu te th e valu es of th e second v irial coefficien ts for air at variou s temp eratures. The values thus compu ted ar e in good agr eem en t with the experimen t ally d et ermined second virial coefficien ts [1].T able 2 compares th e calculated and exp erimen tal v alu es of B.The second virial coefficien t of a binar y gas mixture can b e expressed in terms of th e second virial coefficients of th e constitu en t gases and an interaction coefficient r elated to collisions of th e unlike molecules .vVe may then write fo r air, not ing that BJ 2= B21'Rearranging:Using t h e P-v-T dat a of Friedman et aI. , for Ba1r[1 ], of Friedman for B N2 [3 ], and th e t abulation of Hilsenrath et aI. , for B 02 [6], th e N 2 :0 2 interaction second vil'ial coefficients as a function of t emperature may b e calculat ed from eq (6) . These ar e
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.