Chain together kinetic reactions

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Presentation transcript:

Chain together kinetic reactions

Kinetic reaction paths can be chained together using the improved pickup command. Rate law for Quartz dissolution Initial mass, rate constant Run → Go traces the path

Run → Pickup → System → Entire resumes from the end of the last run SiO2 concentration retained from endpoint Run starts at previous endpoint Quartz mass retained from endpoint User can increase rate constant to reflect reaction promoter Run → Go traces the second path

Endpoint concentration used as starting point for new calculation

The promoter added after 10 hours increases the rate at which Quartz dissolves into the fluid.

Many fluid and medium properties are transient variables A user-supplied polynomial equation describes how the heat capacity of water changes with temperature.

Gtplot and Xtplot can graph many of these transient field variables against time or reaction progress.

A cutoff lets you stop a simulation after a certain number of steps, or after reaching a time limit.

Transient variables updated every step