Formula ยป |
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In this node, you may enter the formula and molecular weight for the compounds.
Grid ViewsDefining the compounds formula is optional, but is useful because it enables REX to Check Atom Balance in the reaction stoichiometry. Furthermore, when working in Estimation mode, the compound formula will enable you to inspect atom balance consistency in the experimental data. Molecular Weight data is also optional. The exception is for variable volume reactors, where densities are used to calculate reactor volume or flow (by enabling the density model in the Reactor node). In these cases, molecular weight values must be entered. Warnings are shown in the Check Model node if these values are not entered for such reactors. REX uses these molecular weights in combination with mass densities to calculate the phase volumes as the reaction proceeds. Actions Grid Views Formula Elements
Formula
In this View, you may enter the molecular weight and the formula for each compound.
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Elements
Top of Topic This view shows a list of all Elements available in REX to be displayed in Formula view. Only the elements selected here are presented in the Formula view for entering atom counts. Actions Calculate Molecular Weights Quick Run Open Solver
Calculate Molecular Weights
When executing this action, the molecular weight is calculated based on the atom count in the compound formula. The calculation is done for the compounds selected in the Dialog that is shown when executing this action. Also, the compound formula string is loaded in the Formula column of the Compounds node. Top of Topic See Also: |