neqsim-capability-map

# NeqSim Capability Map Structured reference of what NeqSim can do, organized by engineering discipline. Use this to quickly check if a capability exists before searching the source code. ## Start with current source and deployed capabilities Treat the tables below as navigation hints, not an exhaustive or qualified support list. For any unfamiliar capability, first follow [the discovery contract](../../../docs/development/AGENT_CAPABILITY_DISCOVERY.md). In a checkout, run `uv run --project devtools --locked devtools/capability_search.py "<need or API>" --json`. It searches current source types and public member names across all Java domains and returns agent/skill entry points, documentation and bounded test references. Use `--audit` to check package routing completeness. Source routing is distinct from the operation coverage registry. With MCP, search the deployed artifact and inspect the exact API/schema before execution. Read only the relevant sections and follow references; do not load this entire inventory for every calculation. Recheck source, tests and runtime version before accepting a stated gap. For measured agent/MCP coverage, inspect `getCapabilities.engineeringCoverage` and use `runCapability` with `action="coverage"`, `view="capabilities"` or `view="apis"`, a query and bounded pagination. Follow the returned tool, API, skill and agent references; retrieve the schema and inspect setup before running. Reuse the catalog digest across pages. Declared routes and source/test mentions are not successful execution or engineering qualification. An unmapped API needs review, not an automatic conclusion that it is unsupported. See `docs/development/ENGINEERING_CAPABILITY_COVERAGE.md` for the evidence contract and campaign #3153 completion gates. **Last updated:** 2026-10-03 (section L lists the capability families that have a dedicated skill added in the 2026-10 audit) --- ## A. Thermodynamic Models (Equations of State) ### Cubic EOS | Class | Fluid Type | Mixing Rule | Notes | |-------|-----------|-------------|-------| | `SystemSrkEos` | Dry/lean gas, simple HC | `"classic"` | Most common choice | | `SystemPrEos` | General HC, oil systems | `"classic"` | Better liquid densities than SRK | | `SystemPrEos1978` | HC with Peng-Robinson 1978 | `"classic"` | Updated alpha function | | `SystemPrEosvolcor` | PR with volume correction | `"classic"` | Volume-translated PR | | `SystemSrkEosvolcor` | SRK with volume correction | `"classic"` | Volume-translated SRK | | `SystemSrkPenelouxEos` | SRK with Peneloux correction | `"classic"` | Volume shift | | `SystemSrkMathiasCopeman` | SRK + Mathias-Copeman alpha | `"classic"` | Better vapor pressure fit | | `SystemPrMathiasCopeman` | PR + Mathias-Copeman alpha | `"classic"` | Better vapor pressure fit | | `SystemSrkTwuCoonEos` | SRK + Twu-Coon alpha | `"classic"` | TST-type alpha function | | `SystemRKEos` | Redlich-Kwong (original) | `"classic"` | Historical / teaching | | `SystemPrDanesh` | PR-Danesh variant | `"classic"` | Oil recovery applications | | `SystemPsrkEos` | Predictive SRK (group contribution) | — | No BIPs needed for some systems | | `SystemSrkSchwartzentruberEos` | SRK + Schwarzentruber-Renon | `"classic"` | Polar compounds | ### Association & Polar EOS (CPA) | Class | Fluid Type | Mixing Rule | Notes | |-------|-----------|-------------|-------| | `SystemSrkCPAstatoil` | Water, MEG, methanol, polar | `10` (numeric) | **Primary CPA choice** | | `SystemSrkCPA` | CPA (generic) | `10` | Base CPA | | `SystemSrkCPAs` | CPA simplified | `10` | Faster CPA variant | | `SystemPrCPA` | PR-based CPA | `10` | PR + association | | `SystemElectrolyteCPAstatoil` | Brines, salt solutions | `10` | Electrolyte + CPA | | `SystemElectrolyteCPA` | Electrolyte CPA | `10` | Base electrolyte | ### Reference EOS (High Accuracy) | Class | Fluid Type | Notes | |-------|-----------|-------| | `SystemGERG2008Eos` | Natural gas (custody transfer) | ISO 20765, highest accuracy | | `SystemGERG2004Eos` | Natural gas (older GERG) | Predecessor to 2008 | | `SystemSpanWagnerEos` | Pure CO2 | CO2 reference EOS | | `SystemLeachmanEos` | Pure hydrogen | H2 reference EOS | | `SystemWaterIF97` | Pure water / steam | IAPWS-IF97 | | `SystemVegaEos` | LNG / cryogenic | Specialized for LNG | ### SAFT Family | Class | Fluid Type | Notes | |-------|-----------|-------| | `SystemPCSAFT` | Polymers, associating | PC-SAFT | | `SystemPCSAFTa` | PC-SAFT variant | Alternative parameterization | ### Other / Specialized | Class | Fluid Type | Notes | |-------|-----------|-------| | `SystemBWRSEos` | Benedict-Webb-Rubin-Starling | Only CH4 + C2H6 parameterized | | `SystemIdealGas` | Ideal gas law | Teaching / reference | | `SystemBnsEos` | BNS EOS | Specialized | | `SystemUMRPRUEos` | UMRPRU group contribution | Predictive mixing rules | | `SystemNRTL` | Activity coefficient (NRTL) | Liquid-liquid equilibrium | | `SystemUNIFAC` | Activity coefficient (UNIFAC) | Group contribution | | `SystemSoreideWhitson` | Soreide-Whitson for oil/water | HC-water mutual solubility | | `SystemKentEisenberg` | Acid gas treating | H2S/CO2 in amines | | `SystemDesmukhMather` | Acid gas treating | Amine systems | | `SystemDuanSun` | CO2 in brine | CO2 solubility | | `SystemAmmoniaEos` | Ammonia systems | NH3-specific | **Package:** `neqsim.thermo.system` --- ## B. Flash Calculations (ThermodynamicOperations) | Method | Class/Operation | Notes | |--------|----------------|-------| | TP flash | `ops.TPflash()` | Standard pressure-temperature | | PH flash | `ops.PHflash()` | Pressure-enthalpy | | PS flash | `ops.PSflash()` | Pressure-entropy | | TV flash | `ops.TVflash()` | Temperature-volume | | UV flash | `ops.UVflash()` | Internal energy-volume | | Dew point P | `ops.dewPointPressureFlash()` | At given T | | Dew point T | `ops.dewPointTemperatureFlash()` | At given P | | Bubble point P | `ops.bubblePointPressureFlash()` | At given T | | Bubble point T | `ops.bubblePointTemperatureFlash()` | At given P | | Phase envelope | `ops.calcPTphaseEnvelope()` | Full PT envelope | | Cricondenbar | `ops.calcPTphaseEnvelope()` → `.get("cricondenbar")` | Max pressure on envelope | | Cricondentherm | `ops.calcPTphaseEnvelope()` → `.get("cricondentherm")` | Max temperature on envelope | | Solid flash | `ops.TPSolidflash()` | Wax, hydrate, ice, S8 precipitation | | Hydrate T | `ops.hydrateEquilibriumTemperature()` | Hydrate formation temperature | | Hydrate P | `ops.hydrateFormationPressure()` | Hydrate formation pressure | | Wax T | `ops.calcWAT()` | Wax appearance temperature | | Freeze T | `ops.freezingPointTemperatureFlash()` | Freeze-out temperature | | Water dew point | `ops.waterDewPointTemperatureFlash()` | ISO 18453 / GERG-water: `SystemGERGwaterEos` with `setMixingRule(8)`; follow the `neqsim-standards-lookup` execution rule | **CRITICAL:** After any flash, call `fluid.initProperties()` before reading transport properties (viscosity, thermal conductivity, density). **Package:** `neqsim.thermodynamicoperations` --- ## C. Process Equipment ### Separation | Class | Type | Package | |-------|------|---------| | `Separator` | 2-phase (gas/liquid) | `process.equipment.separator` | | `ThreePhaseSeparator` | 3-phase (gas/oil/water) | `process.equipment.separator` | | `GasScrubber` | Gas scrubbing | `process.equipment.separator` | | `GasScrubberSimple` | Simplified scrubber | `process.equipment.separator` | | `NeqGasScrubber` | Non-equilibrium (mass-transfer) gas scrubber | `process.equipment.separator` | ### Compression & Expansion | Class | Type | Package | |-------|------|---------| | `Compressor` | Centrifugal / reciprocating | `process.equipment.compressor` | | `CompressorChart` | Performance curves | `process.equipment.compressor` | | `Expander` | Turbo-expander | `process.equipment.expander` | ### Heat Transfer | Class | Type | Package | |-------|------|---------| | `Heater` | Generic heater (duty specification) | `process.equipment.heatexchanger` | | `Cooler` | Generic cooler (duty specification) | `process.equipment.heatexchanger` | | `HeatExchanger` | Shell-and-tube (2 streams) | `process.equipment.heatexchanger` | | `NeqHeater` | Non-equilibrium heater | `process.equipment.heatexchanger` | ### Valves & Pressure Control | Class | Type | Package | |-------|------|---------| | `ThrottlingValve` | Isenthalpic flash | `process.equipment.valve` | ### Distillation & Absorption | Class | Type | Package | |-------|------|---------| | `DistillationColumn` | Tray column | `process.equipment.distillation` | | `Condenser` | Column condenser | `process.equipment.distillation` | | `Reboiler` | Column reboiler | `process.equipment.distillation` | | `SimpleTEGAbsorber` | TEG absorption | `process.equipment.absorber` | | `SimpleAbsorber` | Generic absorber | `process.equipment.absorber` | | `WaterStripperColumn` | Water stripper | `process.equipment.absorber` | ### Mixing & Splitting | Class | Type | Package | |-------|------|---------| | `Mixer` | Stream mixing | `process.equipment.mixer` | | `StaticMixer` | In-line mixer | `process.equipment.mixer` | | `Splitter` | Stream splitting | `process.equipment.splitter` | | `ComponentSplitter` | Component-based split | `process.equipment.splitter` | ### Pipelines & CO2 Well Analysis | Class | Type | Package | |-------|------|---------| | `AdiabaticPipe` | Adiabatic pipe flow | `process.equipment.pipeline` | | `PipeBeggsAndBrills` | Beggs & Brill correlation (+ formation temperature gradient) | `process.equipment.pipeline` | | `PipeGray` | Gray (1974) multiphase vertical flow for gas / gas-condensate wells (Woldesemayat-Ghajar holdup option) | `process.equipment.pipeline` | | `VoidFractionCorrelations` | Two-phase void-fraction / gas-holdup correlations (Woldesemayat-Ghajar 2007) | `process.equipment.pipeline` | | `TwoFluidPipe` | Transient two-fluid multiphase model with 7 conservation equations, AUSM+, boundary conditions, direct electrical heating (DEH). See `neqsim-flow-assurance` for validity limits | `process.equipment.pipeline` | | `CO2InjectionWellAnalyzer` | CO2 injection well safety analysis | `process.equipment.pipeline` | | `TransientWellbore` | Shutdown cooling / depressurization transient | `process.equipment.pipeline` | | `CO2FlowCorrections` | CO2-specific two-phase flow corrections (static utility) | `process.equipment.pipeline` | | `InterfacialFriction` | Interfacial friction closures (Taitel-Dukler, Andritsos-Hanratty, Wallis, Oliemans) | `process.equipment.pipeline.twophasepipe.closure` | | `onePhasePipeFlowNode` | Single-phase pipe flow node | `fluidmechanics.flownode.onephasenode` | | `StratifiedFlowNode`, `SlugFlowNode`, `AnnularFlow`, `BubbleFlowNode`, `DropletFlowNode` | Two-phase pipe flow-regime nodes | `fluidmechanics.flownode.twophasenode.twophasepipeflownode` | ### Reactors | Class | Type | Package | |-------|------|---------| | `GibbsReactor` | Gibbs energy minimization | `process.equipment.reactor` | | `GibbsReactorCO2` | CO2-focused Gibbs reactor | `process.equipment.reactor` | | `StoichiometricReaction` | Stoichiometric reactions | `process.equipment.reactor` | | `StirredTankReactor` | CSTR | `process.equipment.reactor` | | `FurnaceBurner` | Combustion | `process.equipment.reactor` | | `SulfurDepositionAnalyser` | S8 deposition analysis | `process.equipment.reactor` | | `AmmoniaSynthesisReactor` | NH3 synthesis | `process.equipment.reactor` | | `AnaerobicDigester` | Biogas production (AD) | `process.equipment.reactor` | | `FermentationReactor` | Monod/Contois/substrate-inhibited kinetics | `process.equipment.reactor` |