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Updated PCSAFT.cpp to fix minor errors #1

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Updated PCSAFT.cpp to fix minor errors #1

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12 changes: 6 additions & 6 deletions PCSAFT.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -6,9 +6,9 @@
#include "math.h"
#include <iostream>

const static double k_Boltzmann = 1.3806622169047228e-23;
const static double PI = 3.141592654;
const static double N_AV = 6.022e23;
const static double k_Boltzmann = 1.38064852e-23;
const static double PI = 3.14159265359;
const static double N_AV = 6.022140857e23;

/// Coefficients for one fluid
struct SAFTCoeffs{
Expand Down Expand Up @@ -103,7 +103,7 @@ class PCSAFTMixture{
}

/// Convert from molar density to total number density of molecules in mol/Angstroms^3
double rho_A3 = rhomolar*N_AV/10e30; //[molecules (not moles)/A^3]
double rho_A3 = rhomolar*N_AV/1e30; //[molecules (not moles)/A^3]

double summer = 0;
for (std::size_t i = 0; i < N; ++i){
Expand Down Expand Up @@ -136,7 +136,7 @@ class PCSAFTMixture{
double calc_p(double rhomolar, double T){

/// Convert from molar density to total number density of molecules in mol/Angstroms^3
double rho_A3 = rhomolar*N_AV/10e30; //[molecules (not moles)/A^3]
double rho_A3 = rhomolar*N_AV/1e30; //[molecules (not moles)/A^3]

double p = calc_Z(rhomolar, T)*k_Boltzmann*T*rho_A3*1e30; //[Pa]
return p;
Expand Down Expand Up @@ -249,4 +249,4 @@ int main(){
double B12 = mix.B12(1e-12, 300);
std::cout << z0 << " " << B12 << std::endl;
}
}
}