Upgrading Wood Gas Using Bentonite Clay: A Multiscale Modeling and Simulation Study

[Image: see text] Wood gas is the producer gas resulting from gasification of wood biomass and is an important renewable fuel gas in rural areas. This study assessed the capacity of bentonite, a widely used clay mineral, to upgrade wood gas via pressure swing adsorption in order to improve its calorific value (i.e., the amount of energy released per kilogram of gas). Grand canonical Monte Carlo molecular simulations using a self-consistent force field were performed to generate adsorption isotherms for wood gas components—methane, carbon monoxide, carbon dioxide, hydrogen, nitrogen, and oxygen—in montmorillonite (the main crystalline constituent of bentonite) at conditions appropriate to downdraft gasification. The Langmuir adsorption isotherm model was successfully fitted to each component’s adsorption isotherm and was then coupled with a batch equilibrium approach to model a single-stage pressure swing adsorption system with a discharge stream at ambient pressure. A response surface was then computed in terms of the net change in the calorific value as a function of both adsorbent quantity and operating pressure. It was found that the system can improve the calorific value of the gas by over five percent.