ChemCalc performs vapor-liquid equilibrium (VLE) flash calculations using cubic equations of state. Choose from Peng-Robinson (PR) or Soave-Redlich-Kwong (SRK) EOS with built-in binary interaction parameters (kij), or use NRTL gamma-Raoult for 17 verified binary pairs at low pressure.
Calculation Modes
Isothermal flash (TP-flash) Bubble point pressure Bubble point temperature Dew point pressure Dew point temperature T-x-y phase diagram P-x-y phase diagramThermodynamic Models
| Model | Scope | Components |
|---|---|---|
| Peng-Robinson (1976) | Multi-component, high pressure | 129 (full library) |
| SRK / Soave-RK (1972) | Multi-component, high pressure | 129 (full library) |
| NRTL gamma-Raoult | Binary, low pressure only | 17 verified pairs |
Component Library
129 components spanning light hydrocarbons to common process solvents:
Methane–n-Decane Benzene, Toluene, Xylene CO₂, N₂, H₂S, H₂ Methanol, Ethanol, IPA Acetone, MEK, Ethyl acetate Chloroform, CH₂Cl₂ Refrigerants R22/R32/R134aFlash Outputs
- Vapor fraction V/F (mole basis)
- Vapor composition yi for each component
- Liquid composition xi for each component
- K-values (equilibrium ratios) per component
- Bubble / dew temperature or pressure
- Phase diagram — interactive T-x-y or P-x-y plot
NRTL Binary Pairs (verified)
Low-pressure gamma-Raoult model for non-ideal systems including: ethanol–water, methanol–water, acetone–water, acetone–methanol, benzene–cyclohexane, and 12 additional pairs — all with literature source and temperature-validity range.