[Thermo] Remove unused "vacancy species" from LatticePhase

This commit is contained in:
Ray Speth 2017-06-18 19:41:48 -04:00
parent f3ba29f0bc
commit 6bfd82e0be
4 changed files with 1 additions and 15 deletions

View file

@ -216,7 +216,6 @@ namespace Cantera
* <reactionArray datasrc="#reaction_data"/>
* <thermo model="Lattice">
* <site_density> 73.159 </site_density>
* <vacancy_species> Vac_O </vacancy_species>
* </thermo>
* <kinetics model="BulkKinetics"/>
* <transport model="None"/>
@ -649,7 +648,6 @@ public:
* <phase id="O_lattice_SiO2" >
* <thermo model="Lattice">
* <site_density units="kmol/m^3"> 73.159 </site_density>
* <vacancy_species> "O_vacancy" </vacancy_species>
* </thermo>
* </phase>
* @endcode
@ -685,12 +683,6 @@ protected:
//! temperature
mutable vector_fp m_s0_R;
//! String name for the species which represents a vacancy in the lattice
/*!
* This string is currently unused
*/
std::string m_vacancy;
//! Vector of molar volumes for each species in the solution
/**
* Species molar volumes \f$ m^3 kmol^-1 \f$

View file

@ -2154,13 +2154,11 @@ class lattice(phase):
transport = 'None',
initial_state = None,
options = [],
site_density = None,
vacancy_species = ''):
site_density = None):
phase.__init__(self, name, 3, elements, species, note, 'none',
initial_state, options)
self._tr = transport
self._n = site_density
self._vac = vacancy_species
self._species = species
if name == '':
raise CTI_Error('sublattice name must be specified')
@ -2177,8 +2175,6 @@ class lattice(phase):
e = ph.child('thermo')
e['model'] = 'Lattice'
addFloat(e, 'site_density', self._n, defunits = _umol+'/'+_ulen+'3')
if self._vac:
e.addChild('vacancy_species',self._vac)
if self._tr:
t = ph.addChild('transport')
t['model'] = self._tr

View file

@ -311,7 +311,6 @@ void LatticePhase::setParametersFromXML(const XML_Node& eosdata)
{
eosdata._require("model", "Lattice");
m_site_density = getFloat(eosdata, "site_density", "toSI");
m_vacancy = getChildValue(eosdata, "vacancy_species");
}
}

View file

@ -35,7 +35,6 @@
<speciesArray datasrc="#species_LiSi(S)"> Li(i) V(i) </speciesArray>
<thermo model="Lattice">
<site_density units="gmol/cm3"> 1.046344E-2 </site_density>
<vacancy_species> V(i) </vacancy_species>
</thermo>
<transport model="None"/>
<kinetics model="none"/>