neqsim-capability-map

name	neqsim-capability-map
description	Structured inventory of NeqSim's capabilities by engineering discipline. USE WHEN: checking what NeqSim can do, planning implementations, assessing gaps for engineering tasks, or routing work to the right agent. Covers thermodynamics, process equipment, PVT, standards, mechanical design, flow assurance, safety, and economics.
last_verified	2026-07-10

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.

Last updated: 2026-07-09

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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

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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.waterDewPointTemperature()	Water content specification

CRITICAL: After any flash, call fluid.initProperties() before reading transport properties (viscosity, thermal conductivity, density).

Package: neqsim.thermodynamicoperations

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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
NeqSeparator	Non-equilibrium separator	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 (OLGA-like) with 7 conservation equations, AUSM+, boundary conditions	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	fluidmechanics
TwoPhasePipeFlowNode	Two-phase pipe	fluidmechanics

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
BiogasUpgrader	Biogas upgrading (membrane, PSA, amine, water scrub)	process.equipment.splitter
BiomassGasifier	Thermochemical gasification	process.equipment.reactor
PyrolysisReactor	Fast/slow/flash pyrolysis	process.equipment.reactor

Biorefinery Modules (Pre-built)

Class	Type	Package
BiogasToGridModule	AD → upgrading → compression → grid	process.processmodel.biorefinery
GasificationSynthesisModule	Biomass gasification + Fischer-Tropsch	process.processmodel.biorefinery
WasteToEnergyCHPModule	AD → gas engine CHP	process.processmodel.biorefinery

Sustainability & Cost

Class	Type	Package
SustainabilityMetrics	CO₂eq tracking, carbon intensity, EROI	process.util.fielddevelopment
BiomassCharacterization	Biomass properties (proximate, ultimate, HHV)	thermo.characterization
BiorefineryCostEstimator	CAPEX/OPEX for biorefinery equipment	process.mechanicaldesign

Measurement Devices & Instrumentation

Class	Type	Package
ImpurityMonitor	Phase-partitioned impurity tracker with alarms	process.measurementdevice
PressureTransmitter	Pressure measurement (PT)	process.measurementdevice
TemperatureTransmitter	Temperature measurement (TT)	process.measurementdevice
LevelTransmitter	Level measurement (LT)	process.measurementdevice
VolumeFlowTransmitter	Volume flow measurement (FT)	process.measurementdevice
MassFlowTransmitter	Mass flow measurement	process.measurementdevice
WaterDewPointAnalyser	Water dew point measurement	process.measurementdevice
HydrocarbonDewPointAnalyser	HC dew point measurement	process.measurementdevice
WaterContentAnalyser	Water content measurement	process.measurementdevice
CO2waterAnalyser	CO2 in water measurement	process.measurementdevice
AlarmConfig	Alarm HH/H/L/LL thresholds per IEC 61511	process.measurementdevice
AlarmState	Current alarm state tracking	process.measurementdevice
ProcessAlarmManager	System-wide alarm management	process.measurementdevice
InstrumentTagRole	Tag role classification (INPUT/BENCHMARK/VIRTUAL)	process.measurementdevice
ControllerDeviceBaseClass	PID controller base	process.equipment.controller
DynamicProcessHelper	Auto-instruments and controls a ProcessSystem	process.equipment.util

Pumps

Class	Type	Package
Pump	Liquid pump	process.equipment.pump

Subsea & Wells

Class	Type	Package
SubseaWell	Subsea well model	process.equipment.subsea

Utilities & Special

Class	Type	Package
Recycle	Stream recycle convergence	process.equipment.util
Adjuster	Variable adjuster	process.equipment.util
SetPoint	Set point controller	process.equipment.util
Calculator	Custom calculator	process.equipment.util
StreamSaturatorUtil	Stream saturation	process.equipment.util
GasGenerator	Gas generation	process.equipment.util
Flare	Flare system	process.equipment.flare
Filter	Particle filter	process.equipment.filter
Ejector	Ejector / eductor	process.equipment.ejector
Electrolyzer	Water electrolysis	process.equipment.electrolyzer
Tank	Storage tank	process.equipment.tank
Manifold	Production / gathering / commingling / export / subsea manifold & headers — use for ALL manifolds, not Mixer/Splitter. Always route downstream from a split stream: single destination → setSplitFactors([1.0]) + getSplitStream(0); multiple → setSplitFactors([...]) + getSplitStream(i). getMixedStream() = internal commingled stream (before split), inspection only	process.equipment.manifold
SimpleReservoir	Simple reservoir model	process.equipment.reservoir

Process System

Class	Type	Package
ProcessSystem	Flowsheet container	process.processmodel
ProcessConnection	Equipment connections	process.processmodel

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D. PVT Simulations

Class	Experiment	Package
ConstantMassExpansion	CME / CCE	pvtsimulation.simulation
ConstantVolumeDepletion	CVD	pvtsimulation.simulation
DifferentialLiberation	Differential liberation	pvtsimulation.simulation
SeparatorTest	Multi-stage separator test	pvtsimulation.simulation
SwellingTest	Gas injection swelling	pvtsimulation.simulation
SaturationPressure	Bubble/dew point P	pvtsimulation.simulation
SaturationTemperature	Bubble/dew point T	pvtsimulation.simulation
SlimTube	Slim tube / MMP	pvtsimulation.simulation
ViscositySimulation	Viscosity vs P	pvtsimulation.simulation
GOR	Gas-oil ratio vs P	pvtsimulation.simulation

Reservoir Material Balance & Surveillance (inverse)

Class	Assessment	Package
DeclineCurveAnalysis	Arps + Duong (2011) decline; forward rate/EUR and least-squares history matching (fitArps, fitDuong)	pvtsimulation.util
GasMaterialBalance	Gas P/Z straight line (OGIP), Cole plot aquifer diagnostic, Havlena-Odeh	pvtsimulation.reservoirproperties.materialbalance
OilMaterialBalance	Havlena-Odeh oil balance (OOIP, gas-cap ratio m, water drive, Pirson drive indices)	pvtsimulation.reservoirproperties.materialbalance
VanEverdingenHurstAquifer	Radial aquifer influence functions, Carter-Tracy cumulative influx, ECLIPSE AQUTAB export	pvtsimulation.reservoirproperties.materialbalance

Flow Assurance (PVT module)

Class	Assessment	Package
DeWaardMilliamsCorrosion	CO2/H2S corrosion rate (screening)	pvtsimulation.flowassurance

Corrosion & Scale (process module)

Class	Assessment	Package
NorsokM506CorrosionRate	NORSOK M-506 CO2 corrosion (fugacity, in-situ pH, FeCO3 film, shear, glycol/inhibitor)	process.corrosion
NorsokM506ElectrolyteBridge	Drives NORSOK M-506 from a SystemElectrolyteCPAstatoil brine (rigorous pH + FeCO3 supersaturation)	process.corrosion
CO2CorrosionAnalyzer	de Waard-Milliams from an electrolyte fluid	pvtsimulation.flowassurance
PipeSegmentIntegrity	Per-segment CO2 corrosion + CaCO3 scale profile along a line (fromPipe)	process.corrosion
RobustAqueousPH	Always-finite, source-tagged in-situ pH with explicit pCO2 basis (rigorous else CO2-water correlation)	process.corrosion
Phase.getpH()	Aqueous in-situ pH; built-in acid-gas fallback (getpH("acidgas")) gives CO2/H2S pH without chemicalReactionInit()	thermo.phase
ElectrolyteScaleCalculator	Activity-corrected SI for CaCO3/BaSO4/CaSO4/SrSO4 (Davies + Ksp(T)) from ion mg/L	process.chemistry.scale
ThermodynamicOperations.checkScalePotential(phase)	Rigorous saturation ratio SR=IAP/Ksp per salt from a speciated brine (needs chemicalReactionInit()); read getResultTable()	thermodynamicoperations
ScaleMassCalculator	Precipitated scale mass (mg/L) per mineral from SI + ion conc.; rigorous amount via solid-phase flash (hasPhaseType("solid"))	pvtsimulation.flowassurance
ScaleKinetics	Induction time + reaction-vs-transport growth regime on top of an SI	process.chemistry.scale
BrineMixingScaleEvaluator	Seawater/formation-water mixing incompatibility sweep	process.chemistry.scale
ScaleDepositionAccumulator	Scale deposition along a PipeBeggsAndBrills profile	process.chemistry.scale

Regression / Tuning

Class	Purpose	Package
ModelTuning	EOS parameter fitting	pvtsimulation.modeltuning

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E. Gas Quality Standards

Class	Standard	Package
Standard_ISO6976	ISO 6976 — calorific value, Wobbe, density	standards.gasquality
Standard_ISO6976_2016	ISO 6976:2016 update	standards.gasquality
Standard_ISO6578	ISO 6578 — LNG custody transfer	standards.gasquality
Standard_ISO15403	ISO 15403 — natural gas for vehicles	standards.gasquality
Standard_EN16726	EN 16726 — European gas quality	standards.gasquality
UKgasQuality	UK gas quality specification	standards.gasquality
GasChromatographData	GC data processing	standards.gasquality
BrackettedMolarComposition	Molar composition bracketing	standards.gasquality
Draft_GERG2004	GERG-2004 draft implementation	standards.gasquality
SulfurSpecificationMethod	H2S / total sulfur limits	standards.gasquality

Oil Quality

Class	Standard	Package
Standard_ASTM_D6377	ASTM D6377 — vapor pressure	standards.oilquality
Standard_ASTM_D2887	ASTM D2887 — simulated distillation	standards.oilquality
Standard_ASTM_D4294	ASTM D4294 — sulfur in oil	standards.oilquality

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F. Mechanical Design

Class	Equipment	Package
MechanicalDesign	Base class	process.mechanicaldesign
SeparatorMechanicalDesign	Separator vessel sizing, K-factor, demister config, nozzle sizing, liquid levels (HHLL/HLL/NLL/LLL/LLLL), inlet device, foam allowance, retention time, entrainment performance, design validation. Gateway for all separator physical configuration. Bridge methods: entrainment (setInletPipeDiameter, setInletDeviceType, addSeparatorSection, setGasLiquidSurfaceTension) and dynamic internals (setWeirHeightAbsolute, setWeirLength, setBootVolume, setMistEliminatorDpCoeff, setMistEliminatorThickness, applyDemistingInternal). Separation-efficiency report (calculateSeparationEfficiency() → SeparatorEfficiencyReport, two- and three-phase; setEfficiencyModelEnabled(bool) toggle; setDemisterType/setDemisterSubType).	process.mechanicaldesign.separator
SeparatorEfficiencyReport	Whole-separator/scrubber separation-efficiency report — per-internal K-factor operating windows, overall gas-liquid efficiency, gas/oil/water entrainment + carry-under fractions, verdict (GOOD_PERFORMANCE/BELOW_TURNDOWN/FLOODING_RISK/MARGINAL_EFFICIENCY), toJson().	process.mechanicaldesign.separator
InternalOperatingWindow	K-factor operating window for a demisting internal — classifies operating Souders-Brown K vs [Kmin, Kmax] as BELOW_MIN_TURNDOWN/IN_RANGE/ABOVE_MAX_FLOODING, with utilization and turndown ratio.	process.mechanicaldesign.separator.internals
DemistingInternal	Demisting internal sizing — Souders-Brown max gas velocity, Eu-number pressure drop, carry-over model, database K-factor window (fromDatabase(type, subType), getOperatingWindow(opK)). Types: wire mesh, vane pack, cyclone.	process.mechanicaldesign.separator.internals
DemistingInternalWithDrainage	Demisting internal with drainage section — reduces carry-over by drainage efficiency factor.	process.mechanicaldesign.separator.internals
PrimarySeparation	Inlet device base — inlet momentum (rho*v^2), momentum limit checking, liquid carry-over with degradation.	process.mechanicaldesign.separator.primaryseparation
InletVane	Inlet vane device (6000 Pa max momentum, 85% bulk efficiency).	process.mechanicaldesign.separator.primaryseparation
InletVaneWithMeshpad	Inlet vane + downstream mesh pad (92% + mesh pad capture).	process.mechanicaldesign.separator.primaryseparation
InletCyclones	Inlet cyclone cluster (8000 Pa max momentum, 95% bulk efficiency).	process.mechanicaldesign.separator.primaryseparation
PipelineMechanicalDesign	Pipeline wall thickness	process.mechanicaldesign.pipeline
CompressorMechanicalDesign	Compressor design	process.mechanicaldesign.compressor
ValveMechanicalDesign	Valve mechanical design	process.mechanicaldesign.valve
HeatExchangerMechanicalDesign	HX mechanical design with auto-selection (min area/weight/dP)	process.mechanicaldesign.heatexchanger
CompressorDesignFeasibilityReport	Compressor feasibility (design + cost + suppliers + curves)	process.mechanicaldesign.compressor
HeatExchangerDesignFeasibilityReport	HX/cooler/heater feasibility (design + cost + suppliers)	process.mechanicaldesign.heatexchanger
ThermalDesignCalculator	Tube/shell-side HTCs, overall U, pressure drops, zone analysis	process.mechanicaldesign.heatexchanger
BellDelawareMethod	Bell-Delaware shell-side HTC & dP with J-factor corrections	process.mechanicaldesign.heatexchanger
LMTDcorrectionFactor	LMTD F_t for multi-pass configurations (Bowman-Mueller-Nagle)	process.mechanicaldesign.heatexchanger
VibrationAnalysis	Flow-induced vibration screening per TEMA RCB-4.6	process.mechanicaldesign.heatexchanger
ShellAndTubeDesignCalculator	Full TEMA-based S&T design with ASME VIII, NACE, thermal, cost	process.mechanicaldesign.heatexchanger
WellMechanicalDesign	Well casing design	process.mechanicaldesign.subsea
WellDesignCalculator	API 5C3 calculations	process.mechanicaldesign.subsea
WellCostEstimator	Well cost estimation	process.mechanicaldesign.subsea
SURFCostEstimator	Subsea CAPEX	process.mechanicaldesign.subsea
SubseaCostEstimator	Regional cost factors	process.mechanicaldesign.subsea
FieldDevelopmentDesignOrchestrator	Full field design	process.mechanicaldesign
MotorMechanicalDesign	Motor foundation, vibration, cooling, bearings, noise, enclosure	process.mechanicaldesign.motor
EquipmentDesignReport	Combined mech + elec + motor design report with verdict	process.mechanicaldesign

Engineering Deliverables

Class	Purpose	Package
StudyClass	Enum (CLASS_A/CLASS_B/CLASS_C) defining required deliverables per study tier	process.mechanicaldesign
EngineeringDeliverablesPackage	Orchestrates generation of all deliverables for a study class	process.mechanicaldesign
ProcessFlowDiagramExporter	Graphviz DOT export of ProcessSystem topology	process.processmodel
ThermalUtilitySummary	Cooling water, LP/MP/HP steam, fuel gas, instrument air	process.mechanicaldesign
AlarmTripScheduleGenerator	Alarm/trip setpoints per IEC 61511 / NORSOK I-001	process.mechanicaldesign
InstrumentScheduleGenerator	ISA-5.1 tagged instrument schedule with live MeasurementDevice bridge	process.mechanicaldesign
SparePartsInventory	Recommended spare parts by equipment type with lead times	process.mechanicaldesign
FireProtectionDesign	Jet fire, BLEVE, pool fire scenario assessment (API 521)	process.mechanicaldesign.designstandards
NoiseAssessment	Equipment noise + ISO 9613-2 atmospheric attenuation	process.mechanicaldesign.designstandards

Electrical Design

Class	Purpose	Package
ElectricalDesign	Base class — sizes motor, VFD, cables, switchgear	process.electricaldesign
ElectricalMotor	AC induction motor model (IEC 60034, IEEE 841)	process.electricaldesign.components
VariableFrequencyDrive	VFD with topology, harmonics, efficiency	process.electricaldesign.components
ElectricalCable	Cable sizing with derating (IEC 60502)	process.electricaldesign.components
Transformer	Power transformer model (IEC 60076)	process.electricaldesign.components
Switchgear	MCC / switchgear bucket (IEC 61439)	process.electricaldesign.components
HazardousAreaClassification	Zone / Ex marking (IEC 60079)	process.electricaldesign.components
CompressorElectricalDesign	Compressor-specific with auxiliary loads	process.electricaldesign.compressor
PumpElectricalDesign	Pump-specific design	process.electricaldesign.pump
SeparatorElectricalDesign	Separator auxiliary loads	process.electricaldesign.separator
HeatExchangerElectricalDesign	Electric heater / air cooler / S&T detection	process.electricaldesign.heatexchanger
PipelineElectricalDesign	Heat tracing, cathodic protection	process.electricaldesign.pipeline
SystemElectricalDesign	Plant-wide load aggregation, transformer sizing	process.electricaldesign.system
ElectricalLoadList	Load list with demand/diversity factors	process.electricaldesign.loadanalysis

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G. Physical Properties

Class	Property	Package
PhysicalPropertyHandler	Property dispatcher	physicalproperties
Viscosity models	Gas/liquid/mixing rule	physicalproperties.methods
Thermal conductivity	Gas/liquid	physicalproperties.methods
Diffusion coefficients	Binary diffusion	physicalproperties.methods

Access pattern: After fluid.initProperties(), use:

• fluid.getPhase("gas").getViscosity("kg/msec")
• fluid.getPhase("gas").getThermalConductivity("W/mK")
• fluid.getPhase("gas").getDensity("kg/m3")

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H. Utility Classes

Class	Purpose	Package
FluidBuilder	Fluent fluid construction	thermo.system
HeatMaterialBalance	Process-wide H&M balance	util.engineering
SensitivityAnalysis	Parametric sweeps	util.engineering
MonteCarloSimulator	Monte Carlo sampling	util.engineering
ConvergenceDiagnostics	Solver diagnostics	util.engineering
HydrateRiskMapper	Hydrate risk matrix	util.engineering
EOSComparison	Multi-EOS comparison	util.engineering
PinchAnalyzer	Pinch analysis (heat integration)	util.engineering
DCFCalculator	NPV / DCF economics	util.engineering
DebottleneckAnalyzer	Capacity bottleneck finding	util.engineering
ProcessValidator	Equipment validation	util.engineering
CoolingWaterSystem	Cooling water sizing	process.equipment.heatexchanger
FiredHeater	Fired heater modeling	process.equipment.heatexchanger

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I. Chemical Reactions

Capability	Implementation	Notes
Gibbs energy minimization	GibbsReactor	Newton-Raphson, element balanced
Stoichiometric reactions	StoichiometricReaction	User-defined reactions
Combustion	FurnaceBurner	Fuel gas combustion
Sulfur reactions	SulfurDepositionAnalyser	Claus + corrosion reactions
Ammonia synthesis	AmmoniaSynthesisReactor	Haber-Bosch
Chemical equilibrium DB	GibbsReactDatabase.csv	Thermodynamic data

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I-bis. Bioprocessing & Bioenergy

Capability	Implementation	Notes
Anaerobic digestion	AnaerobicDigester	Substrate-specific biogas yields (food waste, sewage, manure, crop residue)
Fermentation kinetics	FermentationReactor	Monod, Contois, substrate-inhibited; batch, fed-batch, continuous
Biogas upgrading	BiogasUpgrader	Water scrubbing, amine, PSA, membrane; auto CH4/CO2 split
Biomass gasification	BiomassGasifier	Air/oxygen/steam; syngas composition from biomass properties
Pyrolysis	PyrolysisReactor	Fast, slow, flash; bio-oil, char, gas yields
Sustainability / LCA	SustainabilityMetrics	CO₂eq (IPCC AR6 GWP), carbon intensity, EROI, renewable fraction
Biomass characterization	BiomassCharacterization	Proximate, ultimate analysis; HHV correlations
Biorefinery costing	BiorefineryCostEstimator	Equipment-level CAPEX/OPEX estimation
Biogas-to-grid chain	BiogasToGridModule	Pre-built: AD → upgrading → compression → grid
Gasification + FT	GasificationSynthesisModule	Pre-built: biomass → syngas → Fischer-Tropsch liquids
Waste-to-energy CHP	WasteToEnergyCHPModule	Pre-built: AD → gas engine with electrical + thermal output

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I-ter. Equipment Diagnostics & Reliability

Capability	Implementation	Notes
Root cause analysis	RootCauseAnalyzer	Bayesian-inspired RCA with multi-source reliability priors
Symptom-based diagnosis	Symptom enum (12 symptoms)	TRIP, HIGH_VIBRATION, SURGE, FOULING, etc.
Hypothesis generation	HypothesisGenerator	Built-in libraries for compressor, pump, separator, HX, valve
Time-series evidence	EvidenceCollector	Trend, threshold, rate-of-change, correlation, multi-parameter pattern
Simulation verification	SimulationVerifier	Clone-perturb-compare with graduated severity
Reliability data	ReliabilityDataSource	IOGP/SINTEF, CCPS, IEEE 493, Lees, OREDA (9 sources, 4 CSVs)
Equipment failure modes	EquipmentFailureMode	MTBF/MTTR/failure rate calculations
Diagnostic reporting	RootCauseReport	JSON, text, ranked hypotheses with confidence scores
Custom hypothesis registry	HypothesisGenerator.register()	Domain-specific hypothesis extension

Package: neqsim.process.diagnostics, neqsim.process.equipment.failure

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J. Known Gaps and Limitations

Major Gaps (commonly requested but missing or incomplete)

Gap	Description	Workaround
Rate-based distillation	No mass-transfer-rate column model	Use equilibrium stages with efficiency
Asphaltene modeling	Limited asphaltene precipitation	Use PC-SAFT with tuned parameters
Erosion modeling	No erosion rate calculation	API RP 14E velocity check only
Detailed heat exchanger design	TEMA-level design with Bell-Delaware, vibration, ASME VIII	Full thermal-hydraulic + mechanical via ShellAndTubeDesignCalculator
Dynamic simulation	Limited transient capability	runTransient() on ProcessSystem
Reservoir coupling	Simple reservoir only	No full reservoir simulator
Control system simulation	PID controllers + AlarmConfig + InstrumentScheduleGenerator + DynamicProcessHelper	No DCS/SIS emulation
Amine sweetening	Basic Kent-Eisenberg / DM	No rate-based amine model
Membrane separation	Basic membrane model	No detailed permeation
BWRS EOS	Only CH4 + C2H6 parameterized	Use SRK/PR instead
NACE MR0175 material selection	No systematic material logic	Manual standard lookup
Detailed flare modeling	No radiation / noise model	Source term only
API 2000 tank venting	No in-/out-breathing tank vent sizing (thermal + pump-in/out)	Use general relief methods manually; flag as gap in capability_assessment.md
Full pipeline network	LoopedPipeNetwork: NR-GGA solver, 120+ wells, IPR (PI/Vogel/Fetkovich), chokes, tubing VLP, Beggs-Brill multiphase, compressors, regulators, artificial lift (gas lift/ESP/jet/rod pump), water handling, sand erosion (DNV RP O501), corrosion (de Waard-Milliams/NORSOK M-506), GHG emissions tracking	Full-featured production network

EOS Limitations

EOS	Known Limitation
SRK/PR	Poor near critical point; liquid density without volume correction
CPA	Slower convergence; limited component database for association
GERG-2008	Only natural gas components (21 components)
PC-SAFT	Limited BIP database; slower than cubic EOS
BWRS	Only 2 components parameterized

Component Database Limitations

Component Type	Coverage
Light HCs (C1-C10)	✅ Excellent
Heavy HCs (C11-C36)	✅ Good (TBP fractions)
Common gases (N2, CO2, H2S, H2, O2)	✅ Excellent
Water, MEG, methanol, TEG	✅ Good (CPA parameterized)
Amines (MEA, DEA, MDEA)	⚠️ Limited
Sulfur species (S8, SO2, COS)	⚠️ Partial
Ionic species	⚠️ Limited database
Polymers	⚠️ Few PC-SAFT parameters
Refrigerants	⚠️ Some available
Specialty chemicals	❌ Case-by-case

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K. Reservoir & Production Properties

Class	Purpose	Package
GasPseudoCriticalProperties	Pseudo-critical T, P	pvtsimulation.reservoirproperties
CompositionEstimation	Reservoir fluid estimation	pvtsimulation.reservoirproperties
ZFactorCorrelations	Z-factor (Standing, DAK, etc.)	pvtsimulation.reservoirproperties
SimpleReservoir	Material balance reservoir	process.equipment.reservoir
Well	Well inflow model	process.equipment.well

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Quick Lookup: "Can NeqSim do X?"

Question	Answer	Class/Method
Phase envelope?	✅	ops.calcPTphaseEnvelope()
Hydrate temperature?	✅	ops.hydrateEquilibriumTemperature()
Wax appearance?	✅	ops.calcWAT()
CO2 corrosion rate?	✅	DeWaardMilliamsCorrosion (screening); NorsokM506CorrosionRate / NorsokM506ElectrolyteBridge (rigorous, brine-driven)
H2S sour classification?	✅	DeWaardMilliamsCorrosion.isSourService()
Per-segment corrosion+scale profile?	✅	PipeSegmentIntegrity.fromPipe(...)
ISO 6976 calorific value?	✅	Standard_ISO6976
Pipeline sizing?	✅	PipeBeggsAndBrills + PipelineMechanicalDesign
Compressor power?	✅	Compressor.getPower("kW")
NPV / DCF?	✅	DCFCalculator
Well casing design?	✅	WellDesignCalculator
TEG dehydration?	✅	SimpleTEGAbsorber
Sulfur deposition?	✅	SulfurDepositionAnalyser
JT cooling?	✅	ThrottlingValve
Depressurization?	✅	ProcessSystem.runTransient()
PSV sizing (gas / liquid, fire case)?	✅	ReliefValveSizing (neqsim.process.util.fire)
Two-phase PSV (API 520 omega / HEM)?	✅	ReliefValveSizing.calculateTwoPhaseReliefArea(...) (Leung omega method)
Tank venting (API 2000)?	❌	Not available — genuine gap; write a NIP
Monte Carlo?	✅	MonteCarloSimulator
Heat integration?	✅	PinchAnalyzer
Amine sweetening?	⚠️ Basic	Kent-Eisenberg model
Biogas production?	✅	AnaerobicDigester
Fermentation kinetics?	✅	FermentationReactor (Monod/Contois)
Biogas upgrading?	✅	BiogasUpgrader (4 technologies)
Biomass gasification?	✅	BiomassGasifier
Sustainability / LCA?	✅	SustainabilityMetrics
Biogas-to-grid module?	✅	BiogasToGridModule
Waste-to-energy CHP?	✅	WasteToEnergyCHPModule
Rate-based column?	❌	Not available
Scale prediction?	✅	ElectrolyteScaleCalculator (SI), ScaleKinetics (rate), BrineMixingScaleEvaluator (mixing), system.checkScalePotential(phase)
Detailed HX design?	❌	Use duty + LMTD
Full reservoir sim?	❌	SimpleReservoir only
CO2 injection well analysis?	✅	CO2InjectionWellAnalyzer
CO2 wellbore shutdown transient?	✅	TransientWellbore
CO2 flow corrections?	✅	CO2FlowCorrections
Impurity monitoring?	✅	ImpurityMonitor
Formation temperature gradient?	✅	PipeBeggsAndBrills.setFormationTemperatureGradient()
Motor sizing?	✅	ElectricalMotor.sizeMotor()
Motor foundation design?	✅	MotorMechanicalDesign
Motor vibration check?	✅	MotorMechanicalDesign.getVibrationZone()
Electrical load list?	✅	ElectricalLoadList
Combined design report?	✅	EquipmentDesignReport
VFD selection?	✅	VariableFrequencyDrive
Cable sizing?	✅	ElectricalCable
Hazardous area classification?	✅	HazardousAreaClassification

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L. Gap-Detection Protocol (for the Capability Scout — run in Step 1)

Use this map together with CHANGELOG_AGENT_NOTES.md before a task reaches Step 2 (notebook analysis), so missing capability is discovered while the plan is still cheap to change — not mid-simulation.

Classify every required capability

For each capability the task needs, classify against sections A–K and the Known-Gaps table (section J):

Verdict	Meaning	Action in Step 1
✅ Available	Class/method exists (found in this map or the source)	Cite the class; proceed
⚠️ Partial	Exists but limited (see section J / EOS limitations)	Note the limitation; plan a workaround
🔧 Workaround	Achievable by composing existing API	Document the recipe
❌ Missing	Not in NeqSim (confirmed by source search)	Write a NIP in neqsim_improvements.md; decide extend-vs-defer NOW

Emit a machine-readable readiness verdict (MANDATORY)

The Capability Scout MUST close capability_assessment.md with a single verdict line so downstream agents (and the @review gate) can act on it:

capability_readiness: READY | READY_WITH_WORKAROUNDS | NEEDS_NIP | BLOCKED

• READY — every Critical capability is ✅ Available.
• READY_WITH_WORKAROUNDS — Critical capabilities are ✅/🔧; workarounds documented.
• NEEDS_NIP — a Critical/Important capability is ❌ Missing; NIP written, extend planned.
• BLOCKED — a Critical capability is ❌ Missing with no viable workaround or NIP path.

Verify before flagging (avoid false gaps)

Always confirm a suspected gap with a source search (grep_search / file_search) before writing a NIP. This map is corrected as capabilities land — e.g. two-phase PSV sizing (ReliefValveSizing.calculateTwoPhaseReliefArea, API 520 omega method) is already present and must not be re-flagged as missing. Confirmed live gaps (e.g. API 2000 tank venting) are recorded in section J; add newly confirmed gaps there so the next scout does not repeat the search.