Thermodynamic Routines

Thermodynamic models

NeqSim’s thermodynamic library consists of the following models

• SRK Equation of State
• Peng Robinson Equation of State
• Schwartzentruber Equation of state
• Furst & Renon Electrolyte Equation Of State
• CPA equation of State (SRK-CPA and PR-CPA)

Mixing rules

The mixing rules are

• Classic – no interaction parameters
• Classic with interaction parameters
• Huron-Vidal Mixing Rule (NRTL)
• Modified Huron Vidal Mixing Rules (NRTL)
• Wong Sandler mixing Rules
• Combinational rules for the CPA-EoS

New thermodynamic models can easily be added. How to add new models will be described in its own document.

Future Plans

The SAFT-EoS will be implemented in a future version of the code. The current plan is to implement the simplified SAFT (sSAFT) and the Lennard Jones-SAFT (LJ-SAFT) equation of state.