NIST Chemical Kinetics Model Database
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How To? Search Reactions
Overview
  • This form can be used to search for reactions in a particular model, a selected set of models, or in all models.
  • This form can also be used to compare reactions in one model with another model.
  • Identify Models to
    Search or Compare
    Unless otherwise specified, the reactions will be searched in ALL models.
    To restrict the search to a specific model or subset of models, one must identify those models.
  • Go to the Models Search form
  • Find each model that you want to identify.
  • Then click button "Add to Selected/Favorite Model"
  • (to unselect click button "Delete from Selected/Favorite Model"
  • Select Models to
    Search or Compare
    In the Reactions Search form one can use the "Select Models" field to
  • Select "All Models"
  • or Select "All Favorite/Select Models"
  • or Select [a specific model]
  • Search Criteria One can specify the search criteria in the Reactions Search form.
    For definitions of each of the fields use "mouseover" in the Reactions Search form.
  • Reactants and/or Products
  • Reaction Class and Reaction Sites
  • Reaction Datatype
  • Reaction Stoichiometry
  • Models
  • Sub Models and Reaction System
  • Display Fields One can specify which fields will be displayed in the results.
    For definitions of each of the fields use "mouseover" in the Reactions Search form.
  • Use checkboxes to specifiy which fields will be displayed in the results.
  • Use checkbox to indicate if "gif" images of the molecules will be displayed as well.
  • Use check box to indicate if original species symbols will be used. Default "off" means standardized "preferred" database symbols will be used.
  • Choose units for rates (mol, molecule) and for energy (K, cal, kcal, J, kJ)
  • Compare Models One can compare the reaction sets for two different models.
    To do this
  • Identify the two models to compare by going to model search page, finding the two models, and selecting them as "Selected/Favorite Models"
  • Note that if more than two models are selected as "favorite" models, then the first two (by database sequence number) will be used. Thus, if you want to compare two models, it is wise to only have two selected.

    Go to Reactions Search form to compare two models. Select the basis for comparison.
    A and B (same rates) This means the reactions as written are found in both models, AND the rate constants are nearly the same.
    A and B (different rates) This means the reactions as written are found in both models, BUT the rate constants are different.
       Note 1 Choose the temperature range and tolerance (in percent) to determine if the rate constants are "nearly the same" or "different". For example, choosing a tolerance ratio of "200%" will mean that rate expressions that are on the average within a factor of 2 will be considered "nearly the same".
    A and B (written reverse) This means that the reactions are found in both reactions, BUT they are written in the reverse direction from each other. For example, C2H6 + O2 = C2H5 + HO2 versus C2H5 + HO2 = C2H6 + O2.
    A not B This means reactions found in Model A, but not in Model B
    B not A This means reactions found in Model B, but not in Model A
       Note 2 "A(B) not B(A)" comparisons take a little longer than the other comparisons because of the number of permutations. Two reaction sets with 1000 reactions each might take 5 seconds, with 2000 reactions or more it gets even slower (20-30 seconds). Hopefully the comparisons can be made more efficient, but for now large set comparisons will be slow.

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