Neqsim Ccs Hydrogen

StandardEdition edition = StandardEdition.defaultEdition(StandardType.DNV_RP_F104);
DnvRpF104Co2PipelineEnvelopeScreeningKernel.Input input =
    DnvRpF104Co2PipelineEnvelopeScreeningKernel.Input
        .builder(edition, "Pipeline")
        .co2MoleFraction(projectCo2MoleFraction)
        .minimumCo2MoleFraction(projectMinimumCo2MoleFraction)
        .waterMoleFraction(projectWaterMoleFraction)
        .maximumWaterMoleFraction(projectMaximumWaterMoleFraction)
        .otherImpuritiesWithinProjectSpecification(otherImpuritiesWithinSpecification)
        .designMinimumTemperatureK(projectMinimumTemperatureK)
        .designMaximumTemperatureK(projectMaximumTemperatureK)
        .maximumAllowableOperatingPressurePaAbsolute(projectMaopPaAbsolute)
        .addOperatingPoint(new DnvRpF104Co2PipelineEnvelopeScreeningKernel.OperatingPoint(
            "inlet", 0.0, inletPressurePaAbsolute, inletTemperatureK,
            inletMinimumSinglePhasePressurePaAbsolute))
        .co2PipelineApplicabilityVerified(true)
        .compositionAndSpecificationVerified(true)
        .thermodynamicModelVerified(true)
        .singlePhaseBoundaryInterpretationVerified(true)
        .operatingProfileVerified(true)
        .pressureTemperatureLimitsVerified(true)
        .materialsCorrosionAndFractureBasisVerified(true)
        .safetyConstructionOperationsAndRequalificationReviewed(true)
        .build();
EngineeringCalculationResult<DnvRpF104Co2PipelineEnvelopeAssessment> result =
    new DnvRpF104Co2PipelineEnvelopeScreeningKernel().calculate(input, null);

// Demonstration conditions only; use the controlled project operating envelope.
Stream co2Feed = new Stream("CO2 Feed", co2Mix);
co2Feed.setFlowRate(1000000.0, "kg/hr");  // ~1 Mt/yr
co2Feed.setTemperature(25.0, "C");
co2Feed.setPressure(110.0, "bara");

PipeBeggsAndBrills pipeline = new PipeBeggsAndBrills("CO2 Pipeline", co2Feed);
pipeline.setLength(150000.0);     // 150 km
pipeline.setDiameter(0.508);       // 20 inch
pipeline.setPipeWallRoughness(5e-5);
pipeline.setOuterTemperature(277.15);  // 4°C seabed
pipeline.run();

double outP = pipeline.getOutletStream().getPressure();
double outT = pipeline.getOutletStream().getTemperature() - 273.15;
// Compare the complete profile with composition-specific, externally verified phase boundaries.

// Use the controlled project water specification; do not embed a universal ppm limit.
// Use CPA for accurate water in CO2 modeling
SystemInterface wetCO2 = new SystemSrkCPAstatoil(273.15 + 25, 110.0);
wetCO2.addComponent("CO2", 0.99);
wetCO2.addComponent("water", 0.01);
wetCO2.setMixingRule(10);
wetCO2.setMultiPhaseCheck(true);

ThermodynamicOperations ops = new ThermodynamicOperations(wetCO2);
ops.TPflash();
wetCO2.initProperties();

// Check water content in CO2-rich phase
double waterInCO2 = wetCO2.getPhase("gas").getComponent("water").getx();
// Convert to the project specification basis and retain the sampling/model uncertainty.

CO2InjectionWellAnalyzer analyzer = new CO2InjectionWellAnalyzer("InjWell-1");
analyzer.setFluid(co2Fluid);
analyzer.setWellGeometry(1300.0, 0.1571, 5e-5);  // depth, ID, roughness
analyzer.setOperatingConditions(90.0, 25.0, 150000.0);  // P, T, flow
analyzer.setFormationTemperature(4.0, 43.0);  // surface T, bottomhole T
analyzer.addTrackedComponent("hydrogen", 0.10);  // impurity limit
analyzer.runFullAnalysis();

boolean safe = analyzer.isSafeToOperate();
// Checks: phase transitions in wellbore, impurity enrichment, thermal stress

PipeBeggsAndBrills wellbore = new PipeBeggsAndBrills("CO2 Injector", co2Feed);
wellbore.setLength(1300.0);
wellbore.setElevation(-1300.0);  // vertical injection well
wellbore.setDiameter(0.1571);     // 6-5/8 inch tubing
wellbore.setPipeWallRoughness(5e-5);
wellbore.setFormationTemperatureGradient(4.0, -0.03, "C");
wellbore.run();

double bhp = wellbore.getOutletStream().getPressure();
double bht = wellbore.getOutletStream().getTemperature() - 273.15;

ImpurityMonitor monitor = new ImpurityMonitor("H2-Monitor", stream);
monitor.addTrackedComponent("hydrogen", 0.10);   // 10 mol% limit
monitor.addTrackedComponent("H2S", 0.001);        // 0.1% limit
monitor.addTrackedComponent("oxygen", 0.005);     // 0.5% limit

double h2Enrichment = monitor.getEnrichmentFactor("hydrogen");
boolean h2Safe = !monitor.exceedsLimit("hydrogen");

TransientWellbore wellbore = new TransientWellbore("Shutdown", co2Feed);
wellbore.setWellDepth(1300.0);
wellbore.setFormationTemperature(277.15, 316.15);  // surface, bottom (K)
wellbore.setShutdownCoolingRate(6.0);  // °C/hr cooling rate
wellbore.runShutdownSimulation(48.0, 1.0);  // 48 hours, 1 hr timestep

// Check for phase transition during cooldown
// Risk: CO2 may transition to two-phase, causing pressure surges

// Static utility for CO2-specific flow adjustments
boolean dense = CO2FlowCorrections.isDensePhase(system);
double holdupCorr = CO2FlowCorrections.getLiquidHoldupCorrectionFactor(system);
// Legacy heuristic only; this pure-CO2 critical-point check is not F104 evidence.

// Evaluate H2 blending impact on existing gas network
SystemInterface blendedGas = new SystemSrkEos(273.15 + 15, 70.0);
blendedGas.addComponent("hydrogen", 0.10);   // 10% H2 blend
blendedGas.addComponent("methane", 0.81);
blendedGas.addComponent("ethane", 0.05);
blendedGas.addComponent("propane", 0.02);
blendedGas.addComponent("nitrogen", 0.02);
blendedGas.setMixingRule("classic");

ThermodynamicOperations ops = new ThermodynamicOperations(blendedGas);
ops.TPflash();
blendedGas.initProperties();

// Key impacts of H2 blending:
double density = blendedGas.getDensity("kg/m3");       // Decreases with H2
double gcv = blendedGas.getPhase("gas").getCp("J/kgK"); // Changes energy content
double z = blendedGas.getZ();                            // Compressibility changes

// For Wobbe index and calorific value:
Standard_ISO6976 iso = new Standard_ISO6976(blendedGas);
iso.calculate();
double wobbe = iso.getValue("SuperiorWobbeIndex");
// H2 reduces Wobbe index — check against pipeline spec limits

// H2 has very low density — requires higher velocities or larger diameters
Stream h2Feed = new Stream("H2 Feed", h2Fluid);
h2Feed.setFlowRate(10000.0, "kg/hr");
h2Feed.setPressure(70.0, "bara");

PipeBeggsAndBrills h2Pipe = new PipeBeggsAndBrills("H2 Pipeline", h2Feed);
h2Pipe.setLength(100000.0);   // 100 km
h2Pipe.setDiameter(0.508);     // 20 inch
h2Pipe.setPipeWallRoughness(5e-5);
h2Pipe.run();

// H2 pressure drop is lower per unit mass but energy density is much lower
// Consider: material compatibility (H2 embrittlement), safety zones

// Steam Methane Reforming produces H2 + CO2
// CH4 + H2O -> CO + 3H2 (reforming)
// CO + H2O -> CO2 + H2 (water-gas shift)

// Model with GibbsReactor for equilibrium
SystemInterface syngasFluid = new SystemSrkEos(273.15 + 850, 30.0);
syngasFluid.addComponent("methane", 0.25);
syngasFluid.addComponent("water", 0.75);
syngasFluid.setMixingRule("classic");

GibbsReactor reformer = new GibbsReactor("SMR", syngasFeed);
reformer.run();
// Outlet: H2, CO, CO2, H2O, unconverted CH4

// 1. Post-combustion capture outlet (after amine scrubbing)
SystemInterface capturedCO2 = new SystemSrkEos(273.15 + 40, 2.0);
capturedCO2.addComponent("CO2", 0.995);
capturedCO2.addComponent("nitrogen", 0.003);
capturedCO2.addComponent("water", 0.002);
capturedCO2.setMixingRule("classic");

// 2. Compression to pipeline pressure
Stream co2Stream = new Stream("Captured CO2", capturedCO2);
co2Stream.setFlowRate(500000.0, "kg/hr");

// Multi-stage compression with intercooling
Compressor comp1 = new Compressor("Stage 1", co2Stream);
comp1.setOutletPressure(5.0);
Cooler cooler1 = new Cooler("IC 1", comp1.getOutletStream());
cooler1.setOutTemperature(273.15 + 30);

Compressor comp2 = new Compressor("Stage 2", cooler1.getOutletStream());
comp2.setOutletPressure(20.0);
Cooler cooler2 = new Cooler("IC 2", comp2.getOutletStream());
cooler2.setOutTemperature(273.15 + 30);

Compressor comp3 = new Compressor("Stage 3", cooler2.getOutletStream());
comp3.setOutletPressure(80.0);
Cooler cooler3 = new Cooler("IC 3", comp3.getOutletStream());
cooler3.setOutTemperature(273.15 + 30);

// 3. Pump to pipeline pressure (above critical — dense phase)
// CO2 is liquid above ~65 bara at 30°C, pump is more efficient than compressor
Compressor pump = new Compressor("Pump", cooler3.getOutletStream());
pump.setOutletPressure(150.0);

// 4. Pipeline transport
PipeBeggsAndBrills pipeline = new PipeBeggsAndBrills("CO2 Export", pump.getOutletStream());
pipeline.setLength(200000.0);  // 200 km
pipeline.setDiameter(0.508);
pipeline.setOuterTemperature(277.15);

// 5. Injection well
// See CO2InjectionWellAnalyzer above

ProcessSystem ccsProcess = new ProcessSystem();
ccsProcess.add(co2Stream);
ccsProcess.add(comp1); ccsProcess.add(cooler1);
ccsProcess.add(comp2); ccsProcess.add(cooler2);
ccsProcess.add(comp3); ccsProcess.add(cooler3);
ccsProcess.add(pump);
ccsProcess.add(pipeline);
ccsProcess.run();

double totalPower = comp1.getPower("kW") + comp2.getPower("kW")
                  + comp3.getPower("kW") + pump.getPower("kW");