Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles
Hyung Sub Sim, Richard A. Yetter, Sungwook Hong, Adri C. T. van Duin, Daniel M. Dabbs, İlhan A. Aksay
Abstract
Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (Pt@FGS) stabilized these particles. Addition of these particles to liquid hydrocarbon fuels was observed to significantly affect decomposition under supercritical conditions at a pressure of 4.75 MPa and temperatures from 753 to 803 K. The suspension of only 50 ppmw Pt@FGS in the fuel (equivalent to adding 10 ppmw Pt) enhanced fuel conversion rates (by up to 24%) with a major effect on specific product yields. The production of low-molecular-weight species increased in the pyrolysis products (with the hydrogen yield increasing by a factor of 12.5). ReaxFF molecular dynamics (MD) simulations supported a mechanism in which synergy between Pt and FGS catalyzed dehydrogenation during n-C12H26 pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing Pt@FGS particles rather than those containing either FGSs or Pt-clusters alone. Analysis of the platinum decorated FGSs post reaction indicated no deterioration of the composite particles.