Industrial & Engineering Chemistry Research, Vol.54, No.16, 4460-4467, 2015
Nonequilibrium Linear Response Theory: Application to Onsager-Stefan-Maxwell Diffusion
The original regression hypothesis of Onsager contains more physics than the fluctuation-dissipation theorem. A discrepancy in a prior derivation of the reciprocal relation for Stefan-Maxwell coefficients through fluctuation theory is resolved: Along with a demonstration of the correct reciprocal relation, it is shown how to use the regression hypothesis to analyze data from an equilibrium simulation and determine values of the transport coefficients.