Simulation driven design optimization of diesel-based non-catalytic autohermal reactor

Diesel has very high hydrogen volumetric and gravimetric density thus is one of the best hydrogen storage systems. Hydrogen can be produced in a fuel processor by reforming of Diesel. Due to its fast response and high Sulfur tolerance, autothermal reforming is the most promising technology for processing logistic fuels such as JP-8 diesel in the context of marine fuel cell system applications. The objective of this work is to present a system-level modeling of the autothermal reforming (ATR) of synthetic diesel fuel in an adiabatic reactor. This study presents simulation and CFD modeling approach for the analysis of hydrogen production from the non-catalytic ATR of Diesel in plug flow reactor (PFR). In this work, kinetic analysis of the autothermal partial oxidation of n-heptane (as diesel surrogate) is performed. Non-catalytic reforming has the advantage of being less expensive while being more stable. Equilibrium analyses are performed with the use of chemical kinetics software coupled with detailed gas phase mechanism which yields an insight into the reactor. Effect of operating condition on axial temperature gradients & mole fractions was investigated for 1-D PFR. The reactor size has been decided based on residence times of equilibrium mixtures of gases and the stability criterion for flames. PFR is also simulated kinetically incorporating

detailed reaction mechanism of heptane oxidation using commercial CFD software. These simulations help us to determine the product concentration and best operating condition for optimized Hydrogen production. Different reactor configuration was studied for a better understanding of effect of secondary steam on the output parameters. Further this has applications in battlefield or in remote campsites and can be incorporated in a Trigeneration system which has potential to improve Hydrogen fuel economics thus implementing emission free technology, producing electric power, thermal power & hydrogen from same fuel stream. Also the by-products could be sold as commercial product in the food or chemical industry.