The single component viscosities are given by the standard kinetic theory expression, [35]

(5–1)

where is the Lennard-Jones collision diameter, is the molecular mass, is the Boltzmann constant, and is the temperature. The collision integral depends on the reduced temperature, given by

(5–2)

and the reduced dipole moment, given by

(5–3)

In the above expression is the Lennard-Jones potential well depth and is the dipole moment. The collision integral value is determined by a quadratic interpolation of the tables based on Stockmayer potentials given by Monchick and Mason [36].

The binary diffusion coefficients[35] are given in terms of pressure and temperature as

(5–4)

where is the reduced molecular mass for the (, ) species pair

(5–5)

and is the reduced collision diameter. The collision integral (based on Stockmayer potentials) depends on the reduced temperature, which in turn may depend on the species dipole moments , and polarizabilities . In computing the reduced quantities, we consider two cases, depending on whether the collision partners are polar or nonpolar. For the case that the partners are either both polar or both nonpolar the following expressions apply:

(5–6)

(5–7)

(5–8)

For the case of a polar molecule interacting with a nonpolar molecule:

(5–9)

(5–10)

(5–11)

where,

(5–12)

In the above equations is the reduced polarizability for the nonpolar molecule and is the reduced dipole moment for the polar molecule. The reduced values are given by

(5–13)

(5–14)

The table look-up evaluation of the collision integral depends on the reduced temperature

(5–15)

and the reduced dipole moment,

(5–16)

Although one could add a second-order correction factor to the binary diffusion coefficients [37] we have chosen to neglect this since, in the multicomponent case, we specifically need only the first approximation to the diffusion coefficients. When higher accuracy is required for the diffusion coefficients, we therefore recommend using the full multicomponent option.