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[Input] Document handling of activation energy in eV
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speth authored and ischoegl committed May 30, 2022
1 parent 05cb4e4 commit 3caf262
Showing 1 changed file with 8 additions and 6 deletions.
14 changes: 8 additions & 6 deletions doc/sphinx/yaml/general.rst
Expand Up @@ -62,8 +62,8 @@ Supported base units are:
Supported compound units are:

- Energy: ``J``, ``cal``, ``erg``, ``eV``
- Activation Energy: ``K``, or any unit of energy per quantity (``J/kmol``,
``cal/mol``, etc.)
- Activation Energy: ``K``, any unit of energy per quantity (``J/kmol``,
``cal/mol``, etc.), or any unit of energy (such as `eV`)
- Force: ``N``, ``dyn``
- Pressure: ``Pa``, ``atm``, ``bar``, ``dyn/cm^2``
- Volume: ``m^3``, ``liter``, ``L``, ``l``, ``cc``
Expand Down Expand Up @@ -91,7 +91,9 @@ explicitly in the units that a value is being converted to within Cantera. For
example, a conversion to ``N/m^2`` will use the default units for mass, length,
and time, while a conversion to ``Pa`` will use the default units for pressure.

Conversions of activation energies implicitly include scaling by the gas
constant where necessary. Setting default units for ``energy`` and ``quantity``
will determine the default units of ``activation-energy``, which can be
overridden by explicitly giving the desired units of ``activation-energy``.
Activation energies given in temperature units will be implicit converted to energy per
quantity by dividing by the gas constant. Activation energies given in pure energy units
such as eV will be converted to energy per quantity by multiplying by the Avogadro
constant. Setting default units for ``energy`` and ``quantity`` will determine the
default units of ``activation-energy``, which can be overridden by explicitly giving
the desired units of ``activation-energy``.

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