CPA EoS in NeqSim
An example of using the the CPA-EoS from NeqSim is given in the following python script. The default CPA-EoS will be the version from Statoil.
import neqsim
from neqsim.thermo.thermoTools import fluid, TPflash
from neqsim.thermo import dataFrame
system = fluid('cpa')
system.addComponent('methane', 0.5, 'mol/sec')
system.addComponent('water', 0.5, 'mol/sec')
system.setMixingRule(10) # Composition dependent and temperature dependent mixing rule
system.setPressure(10.0, 'bara')
system.setTemperature(25.0, 'C')
TPflash(system)
dataFrame(system)
A dataframe with the results of the calculations will be displayed.
The cubic-plus-association (CPA) equation of state combines the Soave–Redlich–Kwong equation with the association term from SAFT based on Chapman's extensions and simplifications of a theory of associating molecules due to Michael Wertheim. The development of the equation began in 1995 as a research project that was funded by Shell, and in 1996 an article was published which presented the CPA equation of state.