Custom Rate Laws. Use the built-in rate law, or click + to select other options. Set either a rate constant, or a pre-exponential factor and an activation.

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Presentation transcript:

Custom Rate Laws

Use the built-in rate law, or click + to select other options. Set either a rate constant, or a pre-exponential factor and an activation energy Hydrogen ions promote the reaction with a “power” of one You can set options for the nucleation, nonlinearity, and cross-affinity Set the mineral’s initial mass and specific surface area Set Kinetic Rate Laws from the Reactants pane. First, “add” a “Kinetic mineral”

React, X1t, and X2t contain a symbolic interpreter that can evaluate any rate law The equation mimics the rate law set in the previous slide using the built-in rate law Simply type out the form of the rate law

You can type the BASIC script into an editor… Click Edit… The mineral’s dissolution rate is calculated from its rate constant, surface area, and saturation. If saturated, however, its precipitation rate is zero.

Click Browse… The same rate law written in the BASIC language and saved as an external.bas file. … or save the BASIC script as a.bas file.

Write and compile a C++ function for maximum flexibility Library and function

Method for setting Custom Rate Law Internal parameters (RMG Table 5.1) Helper functions (RMG Table 5.2) BASIC language syntax (RMG Table 5.3) Internal parameters (RTMG Table A.1) Equation Script Script File Compiled function Your custom rate laws can utilize internal parameters, “helper functions”, and syntax listed in the Reaction Modeling Guide (RMG) and the Reactive Transport Modeling Guide (RTMG). For details, see “Custom Rate Laws” in the GWB Reaction Modeling Guide.