HYTEC results of the MoMas reactive transport benchmark

Abstract

A specific benchmark has been developed by the french research group MoMas in order to improve numerical solution methods applied by reactive transport models, i.e. codes which couple hydrodynamic flow and mass transport in porous media with geochemical reactions. The HYTEC model has been applied to this benchmark exercise and this paper summarizes some of the principal results. HYTEC is a general-purpose code, applied by industrials and research groups to a wide variety of domains, including soil pollution, nuclear waste storage, cement degradation, water purification systems, storage of CO 2 and valorization of stabilized wastes. The code has been applied to the benchmark test-cases without any specific modification. Apart from the benchmark imposed output, additional information is provided to highlight the behavior of HYTEC specifically and the simulation results in particular.

A global approach to reactive transport: application to the MoMas benchmark

“…We check convergence in our numerical experiments and focus on specific behaviour such as numerical oscillations. This benchmark is also studied by other participants [4,16,19,22]. Our results are in good agreement with theirs.…”

Solution of the MoMaS reactive transport benchmark with MIN3P—model formulation and simulation results

“…The use of a coarse spatial discretization (N v = 440 or less) causes an oscillatory behavior in the solution (Fig. 1a, b), as discussed in detail by Lagneau and van der Lee [15]. The MIN3P results provide a stable and oscillation-free solution for 880 control volumes or greater; however, only limited improvements can be achieved for further grid refinements (Fig.…”

Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY

“…For this reason, we think that further developments about the numerical methods used for reactive transport should deal with time step and mesh adaptation. The actual way used for time step adaptation is a heuristic one [11,14]: if the iterative procedure (between transport and chemistry for sequential iterative approaches or for solving the reactive transport system for global approaches) converges father (resp. lower) than a prescribed value, the time step is increased (resp.…”

“…Since the review article of Yeh and Tripathi [28], three ways are well known for reactive transport modelling: the global approach where both transport and chemical operators are solved simultaneously [9,10,22,24]; the iterative operator splitting approach where both operators are solved separately but coupled by Picard-like iterations [5,6,14,18,26]; and the non-iterative operator splitting approach where transport and chemistry operators are separately solved only one time per time step [1,2,27]. In this work, we present the non-iterative operator splitting approach.…”