Compounds - Formula

Formula »
In this node, you may enter the formula and molecular weight for the compounds. Defining 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. Grid Views Actions Grid Views Formula Elements Formula In this View, you may enter the molecular weight and the formula for each compound. Compounds column: It displays the list of all compounds in the project. Molecular Weight column: You may manually enter the values for each compound here, or let REX automatically load the values for the marked compounds according to the formula defined for them. For automatic loading of Molecular weights, use the Calculate Molecular Weights action. Atom columns: The formula for each compound is defined with these columns. By default, columns for C (carbon), H (hydrogen), O (oxygen), N (nitrogen), S (sulfur) and Cl (Chlorine) are shown. You may enter the atom count of each of these elements for the compound. Based on this information, REX calculates the molecular weights and loads the compound formula string in the Compounds Node. You can add more atoms to display (or hide some) by selecting/unselecting them in the Elements View. Top of Topic Elements 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. Top of Topic 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: Compounds Reactor Check Atom Balance

In this node, you may enter the formula and molecular weight for the compounds.

Defining 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.

Grid Views

Actions

Grid Views

Formula

Elements

Formula

In this View, you may enter the molecular weight and the formula for each compound.

Compounds column: It displays the list of all compounds in the project.
Molecular Weight column: You may manually enter the values for each compound here, or let REX automatically load the values for the marked compounds according to the formula defined for them. For automatic loading of Molecular weights, use the Calculate Molecular Weights action.
Atom columns: The formula for each compound is defined with these columns.
By default, columns for C (carbon), H (hydrogen), O (oxygen), N (nitrogen), S (sulfur) and Cl (Chlorine) are shown. You may enter the atom count of each of these elements for the compound. Based on this information, REX calculates the molecular weights and loads the compound formula string in the Compounds Node. You can add more atoms to display (or hide some) by selecting/unselecting them in the Elements View.

Formula »