The Extent of Reaction (ξ)
For a balanced reaction, each species has a stoichiometric number \( \nu_k \):
it equals the coefficient of the species with a positive sign for products
and the negative of the coefficient for reactants. The extent of reaction,
\( \xi \) (in moles), measures how far the reaction has progressed.
Key relations
\[
\Delta n_k \;=\; \nu_k\,\xi
\]
\[
n_{k,\text{final}} \;=\; n_{k,0} + \Delta n_k
\;=\; n_{k,0} + \nu_k\,\xi
\]
\[
\xi \;=\; \frac{n_{k,\text{final}} - n_{k,0}}{\nu_k}
\quad\text{(from any one species \(k\))}
\]
Tabular method (Initial–Change–Final)
Consider a balanced reaction \( a\,\mathrm{A} + b\,\mathrm{B} \rightarrow c\,\mathrm{C} + d\,\mathrm{D} \).
The stoichiometric numbers are
\( \nu_{\mathrm{A}}=-a \), \( \nu_{\mathrm{B}}=-b \), \( \nu_{\mathrm{C}}=+c \), \( \nu_{\mathrm{D}}=+d \).
Organize amounts in the table below to relate all species to the single extent \( \xi \).
| Row |
A |
B |
C |
D |
| Initial |
\( n_{\mathrm{A},0} \) |
\( n_{\mathrm{B},0} \) |
\( n_{\mathrm{C},0} \) |
\( n_{\mathrm{D},0} \) |
| Changes |
\( \Delta n_{\mathrm{A}} = -a\,\xi \) |
\( \Delta n_{\mathrm{B}} = -b\,\xi \) |
\( \Delta n_{\mathrm{C}} = +c\,\xi \) |
\( \Delta n_{\mathrm{D}} = +d\,\xi \) |
| Final |
\( n_{\mathrm{A},\text{final}} = n_{\mathrm{A},0} - a\,\xi \) |
\( n_{\mathrm{B},\text{final}} = n_{\mathrm{B},0} - b\,\xi \) |
\( n_{\mathrm{C},\text{final}} = n_{\mathrm{C},0} + c\,\xi \) |
\( n_{\mathrm{D},\text{final}} = n_{\mathrm{D},0} + d\,\xi \) |
If the final amount of any one species is known, solve for \( \xi \) directly from its column, e.g.
\[
\xi=\frac{n_{\mathrm{C},\text{final}}-n_{\mathrm{C},0}}{c}
\quad\text{or}\quad
\xi=\frac{n_{\mathrm{A},0}-n_{\mathrm{A},\text{final}}}{a}.
\]
Once \( \xi \) is known, compute every other final amount using the third row.
How to use the calculator
- Enter the reaction (unbalanced is fine — the tool balances it).
- Enter the initial amounts \(n_{k,0}\) (mol) for any species you know.
Leaving entries blank is treated as zero.
- Choose how to obtain \( \xi \):
- Enter \( \xi \) directly, or
- Provide the final amount of one species; the tool uses
\( \displaystyle \xi = \frac{n_{\text{final}}-n_0}{\nu} \).
- The tool computes \( \Delta n_k = \nu_k\xi \), all final amounts, and the corresponding final masses.