// ## operation calculateG(Temperature)
public double calculateFreeEnergy(Temperature p_temperature) {
// #[ operation calculateG(Temperature)
double T = p_temperature.getK();
return (calculateEnthalpy(p_temperature) * 1000 - T * calculateEntropy(p_temperature)) / 1000;
// #]
}
public double calculateEntropy(Temperature temp) {
double T = temp.getK();
double entropy;
if (T < 298) throw new TemperatureOutOfRangeException();
else if (T < middleTemperature) {
double[] a = new double[7];
a = lowTemperatureCoefficients;
entropy =
a[0] * Math.log(T)
+ a[1] * T
+ a[2] * T * T / 2
+ a[3] * T * T * T / 3
+ a[4] * T * T * T * T / 4
+ a[6];
entropy = entropy * GasConstant.getCalMolK();
return entropy;
} else if (T < highTemperature) {
double[] a = new double[7];
a = highTemperatureCoefficients;
entropy =
a[0] * Math.log(T)
+ a[1] * T
+ a[2] * T * T / 2
+ a[3] * T * T * T / 3
+ a[4] * T * T * T * T / 4
+ a[6];
entropy = entropy * GasConstant.getCalMolK();
return entropy;
} else throw new TemperatureOutOfRangeException();
}
