Numerical element distinction for reactive transport modeling regarding reaction rate

Winfried Kessels, Stefan Wessling, Li Xuan, M. W. Wuttke

Leibniz Institute for Applied Geosciences, w.kessels@gga-hannover.de, Hannover, Germany

ABSTRACT

Modeling fluid transport, including strongly temperature dependent one way reactions and high temperature variations, suffers from long calculation times because of the very short time steps required. To overcome this problem, element distinction algorithms for reactive transport modeling are developed. The relaxation time of the fastest reaction component is taken as the criterion to distinguish between transport and reaction-kinetically-dominated numerical elements. These algorithms are implemented into the ROCKFLOW (FE) and NTRANS (FD) program codes. Underground coal fire calculations are used as application examples. Fire propagation is controlled by transport and the reaction kinetics of the component with the fastest consumption rate, namely oxygen. Coal consumption and heat production are determined by this fast process. The calculations solve the balance equations for gas hydraulics, including buoyancy, oxygen, coal, ash, exhaust gas and thermal energy. Simulation results of the Sino German Coal Fire Project are presented. Test site is the Wuda Coal Mining Area (Inner Mongolia, PR China). Element distinction calculations in combination with the well-known operator splitting and the new developed sharp front method (SF-method) are discussed. Calculations document the possible advantage in planning fire fighting operations by using predictive modeling.