Estimation of Flammability Limits of Selected Fluorocarbons with F(sub 2) and CIF(sub3) Page: 52 of 78
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has been made to define those sections which would need to be altered to make such
modifications and to modularize the layout as much as possible to facilitate modification.
A.4.1 Adding and Deleting Reactions
Reactions must be listed in stoichiometry order (i.e., in order of increasing oxidizer-to-fuel ratio)
The text entry in the Reaction List is for convenience only. The Reaction Stoichiometry Table
entries should list the number of moles of fuel and oxidizer in each reaction equation and also the
number of moles of each product (positive) or reactant (negative) in the reaction equation. The
coefficients used in the reaction equation must be expressed in a "per-mole-of-fuel" basis. Thus,
for all reactions the entry for the fuel will be "- 1." For unused spaces in the Reaction
Stoichiometry Table, enter 9E99 for the fuel moles, 1 for oxidizer moles, and all zeroes in the
coefficients in the body of the table. As long as you restrict the series to the five possible
reaction entries available, sums and table definitions should function properly as reactions are
added or deleted. If more than five reactions are needed, the table must be expanded, and array
bounds will have to be checked in formulae using the Stoichiometrv Table entries.
If the fuel or oxidizer species change, you must alter the references in the Selection of Active
Reactions ... table (just above the Stoichiometrv Table). Change "Initial/Nu",, ' and/or
"Initial/NFue" cells to refer to the proper entry in the "Initial Moles" column (Column D).
A.4.2 Adding /Deleting Species
Chemical species data and formulae are all contained in a contiguous set of rows (rows 27 to 53
as this is being written, but that could change with species addition or deletion). No other
formulae intrude in this region. Therefore, deleting a species can be done merely by deleting its
row. Avoid deleting the first or last row, however, as they define the limits of sums and vector
products used throughout the spreadsheet. Inserting a new species can be done by inserting a
row, copying the entire contents of an adjacent row into the new blank one (this will capture all
arithmetic formulae in the row), then entering the appropriate species-specific data: name;
stoichiometry coefficients (if it participates in reactions) in the Reaction Stoichiometry Table;
enthalpy of formation and Cp coefficients in the Thermodynamic Properties Table; mass balance
coefficients in the Mass Balance Table. Cp(T) coefficients must derive from a fit of Cp(T) to the
AHf and Cp must be in units of cal/mole (...per K, for Cp). The Mass Balance Table is used to
perform limited before-vs.-after mass balance checks on selected elements (at present, F, C, and
Cl). If a new species is added which will participate in reactions, the values for its chemical
formula must be entered in this table.
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Trowbridge, L.D. Estimation of Flammability Limits of Selected Fluorocarbons with F(sub 2) and CIF(sub3), report, September 1, 1999; Tennessee. (https://digital.library.unt.edu/ark:/67531/metadc623234/m1/52/: accessed May 23, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.