This page groups NeqSim into seven foundational module areas. Each area maps to one or more packages under src/main/java/neqsim; process safety is a cross-cutting capability implemented primarily inside the process hierarchy.
Thermodynamic routines
- Location:
thermoandthermodynamicoperations - Features: fluid phase equilibria, equation-of-state implementations, flash and phase envelope calculations.
Physical properties routines
- Location:
physicalproperties - Features: density, viscosity, heat capacity and other transport properties calculated from thermodynamic state.
Fluid mechanic routines
- Location:
fluidmechanics - Features: models for steady-state and transient flow, pipeline hydraulics, and flow node/leg modelling.
Unit operations
- Location:
process/equipment - Features: library of process equipment including separators, heat exchangers, valves and other common unit operations.
- Distillation columns: nine solver modes (direct substitution, damped, inside-out, adaptive matrix inside-out, Wegstein, sum-rates, Newton temperature correction, Naphtali-Sandholm simultaneous MESH correction, and MESH residual monitoring) with convergence diagnostics and Murphree efficiency support. See distillation column docs.
Chemical reactions routines
- Location:
chemicalreactions - Features: equilibrium and kinetic reaction models with support for reaction mechanisms and kinetic rate expressions.
Parameter fitting routines
- Location:
statistics/parameterfitting - Features: tools for regression and parameter estimation using experimental data, including Monte Carlo simulations.
Process simulation routines
- Location:
process - Features: framework for assembling flowsheets and running dynamic or steady-state process simulations that couple unit operations and property packages.
Cross-cutting process safety capabilities
- Location:
process/safety,process/equipment/tank,process/util/fire - Features: comprehensive safety simulation capabilities including:
- Depressurization: Dynamic vessel blowdown with multiple thermodynamic modes (isothermal, isentropic, energy balance), fire case modeling, and transient wall heat transfer
- Relief valve sizing: API 520/521 compliant PSV sizing with dynamic fire scenarios
- Source term generation: Leak/rupture mass flow, jet velocity, and momentum calculations for consequence modeling (PHAST, FLACS, KFX export)
- Safety envelopes: Hydrate, WAX, CO2 freezing, and MDMT envelope calculations with operating point validation
- Risk framework: Monte Carlo and deterministic risk analysis with event trees, sensitivity analysis, and F-N curve generation