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Localized the molality cropping algorithm, so that it all occurs in

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one member function, calcMolalitiesCropped().
This commit is contained in:
Harry Moffat 2009-01-19 17:16:06 +00:00
parent 6942cb3260
commit ede1dcd93f
1 changed files with 7 additions and 18 deletions
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25
Cantera/src/thermo/HMWSoln.cpp
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@ -431,7 +431,7 @@ namespace Cantera {
m_formPitzerTemp(PITZER_TEMP_CONSTANT), m_formPitzerTemp(PITZER_TEMP_CONSTANT),
m_formGC(2), m_formGC(2),
m_IionicMolality(0.0), m_IionicMolality(0.0),
m_maxIionicStrength(30.0), m_maxIionicStrength(100.0),
m_TempPitzerRef(298.15), m_TempPitzerRef(298.15),
m_IionicMolalityStoich(0.0), m_IionicMolalityStoich(0.0),
m_form_A_Debye(A_DEBYE_WATER), m_form_A_Debye(A_DEBYE_WATER),
@ -1787,10 +1787,7 @@ namespace Cantera {
+= m_molalities[k] * (zs_k1 * zs_k1 + zs_k2 * zs_k2); += m_molalities[k] * (zs_k1 * zs_k1 + zs_k2 * zs_k2);
} }
} }
m_IionicMolalityStoich /= 2.0;
if (m_IionicMolalityStoich > m_maxIionicStrength) {
m_IionicMolalityStoich = m_maxIionicStrength;
}
/* /*
* Update the temperature dependence of the pitzer coefficients * Update the temperature dependence of the pitzer coefficients
@ -1859,7 +1856,7 @@ namespace Cantera {
* Quick return * Quick return
*/ */
if (Imax < m_maxIionicStrength) { if (Imax < m_maxIionicStrength) {
return; return;
} }
m_molalitiesAreCropped = true; m_molalitiesAreCropped = true;
@ -2407,9 +2404,7 @@ namespace Cantera {
molalitysumUncropped += m_molalities[n]; molalitysumUncropped += m_molalities[n];
} }
Is *= 0.5; Is *= 0.5;
if (Is > m_maxIionicStrength) {
Is = m_maxIionicStrength;
}
/* /*
* Store the ionic molality in the object for reference. * Store the ionic molality in the object for reference.
*/ */
@ -3487,9 +3482,7 @@ namespace Cantera {
molalitysum += molality[n]; molalitysum += molality[n];
} }
Is *= 0.5; Is *= 0.5;
if (Is > m_maxIionicStrength) {
Is = m_maxIionicStrength;
}
/* /*
* Store the ionic molality in the object for reference. * Store the ionic molality in the object for reference.
*/ */
@ -4362,9 +4355,7 @@ namespace Cantera {
molalitysum += molality[n]; molalitysum += molality[n];
} }
Is *= 0.5; Is *= 0.5;
if (Is > m_maxIionicStrength) {
Is = m_maxIionicStrength;
}
/* /*
* Store the ionic molality in the object for reference. * Store the ionic molality in the object for reference.
*/ */
@ -5249,9 +5240,7 @@ namespace Cantera {
molalitysum += molality[n]; molalitysum += molality[n];
} }
Is *= 0.5; Is *= 0.5;
if (Is > m_maxIionicStrength) {
Is = m_maxIionicStrength;
}
/* /*
* Store the ionic molality in the object for reference. * Store the ionic molality in the object for reference.
*/ */