TY - JOUR
T1 - Hydrogen Evolution from Hydrocarbon Pyrolysis in a Simulated Liquid Metal Bubble Reactor
AU - Angikath Shamsudheen, Fabiyan
AU - Abdulrahman, Faseeh
AU - Khandavilli, Muralikrishna
AU - Zhang, Xiaoyuan
AU - Sarathy, Mani
N1 - KAUST Repository Item: Exported on 2021-08-30
Acknowledgements: This work was supported by King Abdullah University of Science and Technology (KAUST), with funds allocated to the Clean Combustion Research Centre (CCRC). The authors gratefully acknowledge Dr. Saumitra Saxena and CCRC for thoughtful suggestions in improving the scope of this work.
PY - 2021/8/27
Y1 - 2021/8/27
N2 - The evolution of hydrogen from methane decomposition in a liquid metal bubble reactor (LMBR) has become a recent subject of interest; this study examines a novel approach to hydrogen production from pyrolysis of complex hydrocarbon fuels. Modeling hydrocarbon fuel decomposition in an LMBR is executed in two stages of pyrolysis: First, primary pyrolysis intermediates are simulated using a functional-group-based kinetic model (FGMech). Then, a detailed high temperature mechanism (AramcoMech 1.3 + KAUST PAH + 5 solid carbon chemistry) is applied to simulate secondary pyrolysis of intermediates. The quantities of major products of the secondary pyrolysis simulation (CH4, H2, Cs, C6H6) are approximated by simplified regression equations. Further decomposition of smaller hydrocarbons (until exiting the reactor) is simulated using a coupled kinetic and hydrodynamics model that has been reported in the literature. The mixing effects of bubble coalescence and breakup are investigated in a comparative study on homogeneous and non-homogeneous reactors. Finally, a qualitative relationship between H2 yield per mass of fuel, functional group, and other factors such as temperature, pressure, and residence time is analyzed. In general, the H/C ratio and cyclic/aromatic content are the main features influencing total conversion to H2.
AB - The evolution of hydrogen from methane decomposition in a liquid metal bubble reactor (LMBR) has become a recent subject of interest; this study examines a novel approach to hydrogen production from pyrolysis of complex hydrocarbon fuels. Modeling hydrocarbon fuel decomposition in an LMBR is executed in two stages of pyrolysis: First, primary pyrolysis intermediates are simulated using a functional-group-based kinetic model (FGMech). Then, a detailed high temperature mechanism (AramcoMech 1.3 + KAUST PAH + 5 solid carbon chemistry) is applied to simulate secondary pyrolysis of intermediates. The quantities of major products of the secondary pyrolysis simulation (CH4, H2, Cs, C6H6) are approximated by simplified regression equations. Further decomposition of smaller hydrocarbons (until exiting the reactor) is simulated using a coupled kinetic and hydrodynamics model that has been reported in the literature. The mixing effects of bubble coalescence and breakup are investigated in a comparative study on homogeneous and non-homogeneous reactors. Finally, a qualitative relationship between H2 yield per mass of fuel, functional group, and other factors such as temperature, pressure, and residence time is analyzed. In general, the H/C ratio and cyclic/aromatic content are the main features influencing total conversion to H2.
UR - http://hdl.handle.net/10754/670812
UR - https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01880
U2 - 10.1021/acs.energyfuels.1c01880
DO - 10.1021/acs.energyfuels.1c01880
M3 - Article
SN - 0887-0624
JO - Energy & Fuels
JF - Energy & Fuels
ER -
