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This report outlines the automated selection process for time step length (∆t) in React X1t and X2t, which is guided by various limiting factors. These include stability criteria for mass and heat transport equations, intensity of kinetic reactions, constraints for output result writing, and limits imposed by a dual porosity model. Users can set initial and maximum step sizes as well as maximum increases. The program provides real-time reporting of the factors limiting ∆t at each step. Settings adjustments can be made through the Config menu.
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In taking a time step, React, X1t, and X2t automatically select the time step length ∆t according to a number of criteria: • Stability of mass and heat transport equations • Intensity of kinetic reactions • Not stepping past specified points for writing results to output files • Stability limits imposed by dual porosity model • Initial and maximum step size, and maximum increase, as set by user
The programs can report at each step the factor limiting the time step length ∆t. Config → Stepping… Check “explain steps”
Check “Follow Output” Click Run to begin solving the model.
Reaction progress ranges from 0 to 1. Step # ∆t limited by intensity of kinetic reaction. ∆t limited by maximum proportional increase in ∆t. ∆t limited by user-set maximum. ∆t limited by intensity of kinetic reaction.