Download e-book for iPad: Liquid State by Douglas Henderson (Eds.)

By Douglas Henderson (Eds.)

ISBN-10: 0122456084

ISBN-13: 9780122456084

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Extra resources for Liquid State

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2 , φ1 — φ2 , y, μ 1ε0σ0\ 2 5 2 θ /ε 0^ο > μ άΙε0σ0\ κ, . . 37) b u t the dimensionless molecular parameters do not represent a d e m o n strably complete set unless one arbitrarily restricts oneself to the coefficients in the classical multipole expansion. 31)], μ and θ are the dipole m o m e n t and q u a d r u p o l e m o m e n t , respectively, â is the average polarizability (a,, + 2 a ± ) / 3 , and κ is the d e p a r t u r e from symmetry of the polarizability ellipsoid (an — 2a±)ßä (where oc„ and a± are the polarizability parallel to and perpendicular to the principal axis).

Obviously, larger values of γ will be associated with greater globularity. F o r large values of R, E q . 32) 6 6 giving t h e right asymptotic bahavior [Eq. 1)] with C 6 = 4ε(1 — γ) σ , as the (28, 7) equation does not. I n t h e region of the b o t t o m of t h e p o tential-energy well, which is of most importance for liquids, the reduced 2 2 2 2 curvature ( r 0 / e ) ( r f w / r f r ) r = ro is 196 for t h e (28, 7) equation and 72(τ· 0 /ρ 0 ) 1/6 2 = 72 {I + [ ( y / 2 ) / ( l — γ)] } for the Kihara equation.

2 4 ) . Note that the Boyle temperature TB and the Boyle volume VB are used to convert u and r into reduced quantities. For the relations between (ε, σ) and ( T B , F B ) , see Table II. Substitution of this discontinuous function for u(r) into E q . 20) 3 where β = α — 1. F o r fixed β, there are two adjustable parameters, ε and er. 2. The Sutherland ( o o , 6) Pair Energy A function for u(r) t h a t seems superficially somewhat m o r e realistic combines t h e rigid-sphere infinite repulsion with an attraction t e r m Robert L.

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Liquid State by Douglas Henderson (Eds.)


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