A multi-component two-phase lattice Boltzmann method applied to a 1-D Fischer–Tropsch reactor

A multi-component two-phase lattice Boltzmann method of the Shan–Chen type has been developed for simulating the complex interplay of diffusion and surface reaction in a multi-component gas–liquid catalytic chemical reactor. This method development comprised of various steps, viz. the formulation, implementation, and validation of lattice Boltzmann techniques capable of reproducing, among other things, species transport across a phase interface, a chemical reaction at a catalytic surface, and a phase change due to the surface reaction, which all are relevant to the Fischer–Tropsch Synthesis (FTS). The most important steps taken in developing method and implementation, along with some validations are discussed. This paper presents the results of the simulations for a simplified isothermal 1-D FTS case with a liquid film covering a catalytic surface and gradually growing due to the surface reaction.

• A multi-component two-phase catalytic reaction was modelled with the lattice Boltzmann method.
• A model was proposed and validated for liquefaction due to the first order surface reaction.
• A relation for surface reaction constant implementation in the modified bounce-back rule was proposed.
• Transient of syngas ratio, liquid film growth, selectivity and paraffin product distribution in a 1-D FTS reactor was calculated.