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.
All Science Journal Classification (ASJC) codes
- Chemical Engineering (miscellaneous)
- Energy Engineering and Power Technology
- Materials Chemistry
- Electrical and Electronic Engineering