Thermal Diffusion in a Reacting System

Consider a box with a chemical reaction, and with a temperature gradient in the v-direction. As a consequence, all vectorial fluxes inside the box are in the 

We shall apply equations in section 14.2.1 in a study of the transport coeiS-cients. The system was studied by molecular dynamics simulations to provide molecular insight. The entropy production from eq 14.17 is 

For a stationary state, the reaction and the closed system impose the following mass balance  

This leads in a reduction of the expression for the entropy production  

The resulting force-flux equations for coupled heat and mass transport are then given by eq 14.17, which becomes  

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