Development of multiscale models for the Gas-To-Liquids (GTL) process

The GTL process is an established, robust, and economically viable technology in harnessing gas resources, such as synthetic gas for the efficient production of cleaner and high-quality transportation fuels by the petrochemical industry. The Fischer-Tropsch (FT) reaction is fundamental to the fuel production process and its performance is controlled by several factors, such as operating conditions, the choice of the metal catalyst and its support material. This project aims at the utilization of mesoscale molecular simulation methodologies using the MARTINI force field in order to address a number of fundamental questions raised by the GTL industry.

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