Hello Everyone,
I am trying to calculate critical Temperature and Pressure of binary and ternary mixtures using equation of state. In particular, I am using PengRobinson Equation of State. I combined this with Vander Waals critical criterion to get my result, but am way off experimental data.
Vander Waals criteria states: dP/dv = 0 and d2P/dv2=0
My steps:
1. I solve the two partial derivative equations mentioned above to end up with a cubic equation in 'v' (molar volume). Solving this I get the critical molar volume
2. I put this back in either of the partial derivative conditions and calculate Temperature using iteration.
3. Now I know Tc and Vc. I put these values back in the equation of state to get my pressure.
Problem:
My Tc values are still within range or close to experimental data but the Pc values are way off.
Attached Plot:
Attached plot is of a binary mixture of methane(C1) and propane(C3). Tc and Pc plots are attached vs mole fraction of C1
I am trying to calculate critical Temperature and Pressure of binary and ternary mixtures using equation of state. In particular, I am using PengRobinson Equation of State. I combined this with Vander Waals critical criterion to get my result, but am way off experimental data.
Vander Waals criteria states: dP/dv = 0 and d2P/dv2=0
My steps:
1. I solve the two partial derivative equations mentioned above to end up with a cubic equation in 'v' (molar volume). Solving this I get the critical molar volume
2. I put this back in either of the partial derivative conditions and calculate Temperature using iteration.
3. Now I know Tc and Vc. I put these values back in the equation of state to get my pressure.
Problem:
My Tc values are still within range or close to experimental data but the Pc values are way off.
Attached Plot:
Attached plot is of a binary mixture of methane(C1) and propane(C3). Tc and Pc plots are attached vs mole fraction of C1
Attachments

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