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added a kinetic reaction test to call quotient reaction rate compute
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src/reactions/geochemistry/unitTests/testGeochemicalKineticReactions.cpp

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@@ -93,7 +93,48 @@ TEST( testKineticReactions, computeReactionRatesTest_carbonateSystemAllKinetic )
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expectedReactionRatesDerivatives );
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}
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TEST( testKineticReactions, computeReactionRatesQuotientTest_carbonateSystem )
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{
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double const initialSpeciesConcentration[16] =
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{
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1.0e-16, // OH-
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1.0e-16, // CO2
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1.0e-16, // CO3-2
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1.0e-16, // CaHCO3+
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1.0e-16, // CaSO4
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1.0e-16, // CaCl+
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1.0e-16, // CaCl2
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1.0e-16, // MgSO4
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1.0e-16, // NaSO4-
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3.76e-1, // H+
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3.76e-1, // HCO3-
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3.87e-2, // Ca+2
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3.21e-2, // SO4-2
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1.89, // Cl-
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1.65e-2, // Mg+2
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1.09 // Na+1
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};
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double const surfaceArea[1] = { 1e6 }; // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
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double const expectedReactionRates[1] = { 1.5488389999999999 }; // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
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double const expectedReactionRatesDerivatives[1][16] =
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{
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{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 3.0877659574468075e-03, -3.0877659574468075e-03, -2.9999999999999997e-02, 0, 0, 0, 0 }
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};
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computeReactionRatesTest< double, false >( carbonateSystem.kineticReactionsParameters(),
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initialSpeciesConcentration,
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surfaceArea,
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expectedReactionRates,
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expectedReactionRatesDerivatives );
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computeReactionRatesTest< double, true >( carbonateSystem.kineticReactionsParameters(),
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initialSpeciesConcentration,
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surfaceArea,
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expectedReactionRates,
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expectedReactionRatesDerivatives );
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}
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//******************************************************************************
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