Tools for computing thermodynamic properties of molecular fluids
Project description
mol-TDN: Thermodynamic properties of molecular fluids
Examples
- Compute density of methane at 100 bar using the Peng-Robinson equation of state:
from mol_tdn import Molecule, compute_eos, plot_pv
m = Molecule('methane')
m.info()
Molecule: methane
Chemical formula: CH4
Molecular Mass: 16.0 g/mol
Critical Temperature: 190.56 K
Critical Pressure: 45.99 bar
Accentric factor: 0.012
compute_eos(m, t=298, p=100, eos='pr')
{'phase': 'supercritic',
'temperature': 290,
'temperature_unit': 'K',
'temperature_reduced': 1.5218303946263645,
'pressure': 100,
'pressure_unit': 'bar',
'pressure_reduced': 2.1743857360295715,
'molar_density': 5.1136267891221125,
'molar_density_unit': 'mol/L',
'density': 0.08201746007072958,
'density_unit': 'g/cm^3',
'fugacity_coefficient': 0.8026596911737123,
'compressibility_factor': 0.8110786197961839,
'fugacity': 80.26596911737123,
'fugaciy_unit': 'bar',
'molar_volume': 0.1955559217045787,
'molar_volume_unit': 'L/mol',
'enthalpy_reduced': -1.8894059136250632,
'enthalpy_reduced_unit': 'kJ/mol',
'entropy_reduced': -0.004687572314523244,
'entropy_reduced_unit': 'kJ/mol/K',
'energy_gibbs_reduced': -0.530009942413322,
'energy_gibbs_reduced_unit': 'kJ/mol'}
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