Neqsim Capability Map

Name: Neqsim Capability Map
Author: equinor

equinor/neqsim

2 installs
136 repo stars
Updated August 5, 2026
equinor/neqsim

Understand NeqSim thermodynamic simulation capabilities and select appropriate models for engineering problems.

About

NeqSim Capability Map documents simulation features, model types, and thermodynamic computation capabilities. Use to evaluate whether NeqSim suits your engineering simulation needs.

NeqSim simulation capabilities overview.
Thermodynamic model selection guide.

Neqsim Capability Map by the numbers

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What it does

Understand NeqSim thermodynamic simulation capabilities and select appropriate models for engineering problems.

Files

SKILL.mdMarkdownGitHub ↗

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: 2026-03-23

---

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.waterDewPointTemperature()`	Water content specification

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`
`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`
`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`	Subsea manifold	`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`

---

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`

Flow Assurance (PVT module)

Class	Assessment	Package
`DeWaardMilliamsCorrosion`	CO2/H2S corrosion rate	`pvtsimulation.flowassurance`

Regression / Tuning

Class	Purpose	Package
`ModelTuning`	EOS parameter fitting	`pvtsimulation.modeltuning`

---

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`

---

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`).	`process.mechanicaldesign.separator`
`DemistingInternal`	Demisting internal sizing — Souders-Brown max gas velocity, Eu-number pressure drop, carry-over model. 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`

---

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")

---

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`

---

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

---

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

---

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

---

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
Scale prediction	No mineral scale model	External tool (ScaleChem)
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
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`
H2S sour classification?	✅	`DeWaardMilliamsCorrosion.isSourService()`
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()`
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?	❌	Not available
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`