From d3a01f08728b632f8ef7457cba8cc256944a6433 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 25 Mar 2022 14:17:23 +0100 Subject: [PATCH] fix initial layer radii in R2_FB MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit R2 means reduction from magnetite to wüstite and like in Kinaci et al. (2020) we should assume that reduction from hematite to magnetite is already completed to avoid mixing the reaction processes; hence, start the simulation with a negligible hematite layer --- .../PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run index a913273a..0e6c44d2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run @@ -87,7 +87,7 @@ fix pore_diameter ore property/global pore_diameter_ore scalar 1.e-7 fix layerDensities ore property/global density_ore vector 7870. 5740. 5170. 5240. # define layer properties -fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 +fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.999 0.998 0.001 ############### # Write data into files for post-processing