Skip to content

modules.md

Latest commit

 

History

History
51 lines (39 loc) · 3.08 KB

modules.md

File metadata and controls

51 lines (39 loc) · 3.08 KB
Raw
title NeqSim Base Modules
description Overview of NeqSim's seven foundational thermodynamic, property, fluid-mechanics, reaction, fitting, and process module groups plus process-safety capabilities.

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: thermo and thermodynamicoperations
  • 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

Related documentation