Catalytic role of defective carbon in the methane decomposition for CO and CO$_{2}$-free hydrogen generation

POSTER

Abstract

Decomposition of methane is an environmentally attractive approach to CO and CO$_{2}$-free hydrogen production. The decomposition of methane over defective carbon was studied by using state of the art first principles modeling techniques. Our studies demonstrate that the defective carbon itself can be used as catalyst for methane decomposition, without the need for other catalysts like transition metals or oxides, and the catalytic sites in defective carbon can be regenerated by the deposition of carbon decomposed from methane, to make the hydrogen production a continuous process. Additionally; since no other gases are produced in the process, the cost of CO$_{2}$ sequestration and hydrogen purification from CO contamination will be dramatically reduced.

Authors

  • Liping Huang

    Department of Chemical and Biomolecular Engineering, North Carolina State University; Department of Physics, North Carolina State University

  • Erik Santiso

    Center for High Performance Simulation (CHiPS) and Department of Chemical and Biomolecular Engineering, North Carolina State University, Department of Chemical and Biomolecular Engineering, North Carolina State University

  • M. Buongiorno Nardelli

    Department of Physics, North Carolina State University, Raleigh, NC 27695, USA, North Carolina State University, Department of Physics, Raleigh, NC, NC State University, Raleigh, NC, Center for High Performance Simulation (CHiPS) and Department of Physics, North Carolina State University, Department of Physics, North Carolina State University; CSMD, Oak Ridge National Laboratory, Dept. of Physics, NC State Univ.

  • Keith Gubbins

    Center for High Performance Simulation (CHiPS) and Department of Chemical and Biomolecular Engineering, North Carolina State University, Department of Chemical and Biomolecular Engineering, North Carolina State University