Use reaction extent to explain a limiting-reactant switch
Derive a piecewise yield bound while keeping every species nonnegative.
Learning outcome: At N2=2 compare H2 feeds 3,6,9. Derive extents and residuals first, then explain the slope change in the feed-versus-product graph.
Starting recap
Review amount dimensions, chemical formulas and charge, signed differences, ratio bounds and the distinction between a theoretical constraint and measured conversion.
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For 2 mol N2 and 5 mol H2, maximum extent is 5/3 mol and product is 10/3 mol NH3; one-third mol N2 remains.
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Will adding more of an already excess reactant always increase the stoichiometric product bound?
Experiment
At N2=2 compare H2 feeds 3,6,9. Derive extents and residuals first, then explain the slope change in the feed-versus-product graph.
Use extent to keep every species nonnegative
Worked teaching model · synthetic values · N2 +3H2 →2NH3 is assumed to proceed completely to the limiting inventory in a fictional mass-balance packet. Actual ammonia equilibrium, kinetics, high-pressure processing and handling are excluded. Product starts at zero.
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| Species | Initial | Change | Final | Unit |
|---|---|---|---|---|
| N2 | 2 | -1.666667 | 0.3333333 | mol |
| H2 | 5 | -5 | 0 | mol |
| NH3 | 0 | 3.333333 | 3.333333 | mol |
Axes rescale. Connected samples show a declared parameter relationship, not elapsed reaction time. Dashed comparison, when present, is the unbiased gas pressure or ideal-gas Z=1 reference described in the model.
Numerical diagram coordinates
| initial H2 (mol) | maximum NH3 (mol) |
|---|---|
| 1 | 0.6666667 |
| 2 | 1.333333 |
| 3 | 2 |
| 4 | 2.666667 |
| 5 | 3.333333 |
| 6 | 4 |
| 7 | 4 |
| 8 | 4 |
| 9 | 4 |
| 10 | 4 |
| Quantity | Value | Unit |
|---|---|---|
| Maximum stoichiometric extent | 1.666667 | mol |
| Product amount | 3.333333 | mol |
| Initial nitrogen atoms | 4 | mol atoms |
| Final nitrogen atoms | 4 | mol atoms |
| Initial hydrogen atoms | 10 | mol atoms |
| Final hydrogen atoms | 10 | mol atoms |
The minimum feed-to-coefficient ratio limits the extent, not the smaller raw feed amount.
Residual amounts are nonnegative at the maximum extent. The product-versus-feed curve changes slope when the limiting reactant changes. Actual reaction extent may be lower because of equilibrium, kinetics or recovery; this upper bound does not predict a real reactor.
Retain the reaction/measurement boundary with every number. This mathematical packet is not a chemical procedure or evidence of actual laboratory technique.
The minimum feed-to-coefficient ratio limits the extent, not the smaller raw feed amount.
Residual amounts are nonnegative at the maximum extent. The product-versus-feed curve changes slope when the limiting reactant changes. Actual reaction extent may be lower because of equilibrium, kinetics or recovery; this upper bound does not predict a real reactor.
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Which additional evidence is needed to turn a stoichiometric upper bound into an actual yield prediction?
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