RDKit-parsed corrosion marker molecules
Docker-Generated Materials Screen
Materials Corrosion Lab
A 3D materials-readiness lab for chloride, oxygen excursions, sulfide, salts, slurry erosion, coupon evidence, and high-pressure boundary controls.
materials controls scored
top individual materials control
CoolProp water density at 340 C and 23 MPa
Oxygen-service branch. Compares Sanicro35 and titanium evidence under HTL-aqueous wet oxidation chemistry while preventing oxygen crossover.
Sanicro 35 wet-oxidation tube loop 2025 continuous WO precedent
Continuous HTL-aqueous wet oxidation used Sanicro35 tubing at HTL-like temperatures and pressures, making it a strong branch candidate.
Oxygen service compatibility, chloride tolerance, pressure cycling, weld/fitting behavior, and post-run oxide scale.Titanium wet-air oxidation reactor tube PNNL WAO precedent
PNNL used titanium alloy tubing for HTL-aqueous wet air oxidation after observing corrosion in stainless tube reactors.
Crevice risk, oxygen service limits, hydrogen pickup, solids abrasion, titanium fitting strategy, and thermal cycling.Online chloride, sulfide, oxygen, and pH monitoring Commercial instrumentation / pilot integration
Corrosion excursions are chemistry events before they become leaks, plugged coils, or catalyst failures.
Sampling lag, high-pressure letdown bias, ion chromatography, ORP/oxygen traceability, and alarm response.Oxygen-exclusion and reducing-environment control Pilot operation practice
HTL reactor sections and wet-oxidation branches have opposite oxygen requirements; oxygen crossover must be controlled.
Purge efficiency, oxygen ingress, interlock logic, WO isolation, pressure transient behavior, and gas sampling.Corrosion coupon and microscopy loop Required pilot evidence
Alloy claims are weak unless coupons see real sludge, salts, wet oxidation chemistry, weld zones, and hot pressure exposure.
Mass loss, pitting, crevice attack, weld-zone attack, SEM/EDS, scale composition, and before/after roughness.Hot solids and salt deposition guard filter Pilot-critical
Salt precipitation and solids deposition drive plugging, under-deposit corrosion, and downstream erosion.
Filter pressure drop, ash capture, salt precipitation temperature, cleaning cycle, oil loss, and under-deposit corrosion.The Docker selection model picks Corrosion coupon and microscopy loop + Online chloride, sulfide, oxygen, and pH monitoring + Hot solids and salt deposition guard filter + Pressure-letdown erosion trim inspection + Ni-Cr-Mo alloy reactor and letdown trim + Sanicro 35 wet-oxidation tube loop as the first materials package. Pyomo-formulated six-control materials package with evidence, material, fouling, oxygen, chloride, data, cost, fabrication, and safety gates; solved by deterministic enumeration.
Current materials decision
Treat materials as a measured pilot gate, not an afterthought
The generated screen ranks coupon evidence first and selects a six-control package that pairs coupon microscopy, live chemistry monitoring, salt/solids protection, letdown inspection, Ni-Cr-Mo critical-section trim, and Sanicro 35 wet-oxidation evidence. The current answer is not that a commercial fuel plant is ready; it is that a pilot must prove the pressure boundary under real sludge before scale-up claims are credible.
Hot compressed water with chloride, sulfide, ash, organics, and slurry erosion risk.
Oxygen-service materials are modeled separately from oxygen-excluded HTL operation.
Screening limit: 100 um/year maximum acceptable corrosion rate.
Wet oxidation materials branch
Compares Sanicro35 and titanium evidence under HTL-aqueous wet oxidation chemistry while preventing oxygen crossover.
- Corrosion
- 83
- Chloride
- 78
- Oxygen
- 80.3
- Erosion
- 54.3
High-alloy critical sections
Targets reactor, heat exchanger, and letdown sections where chloride, oxygen, and slurry erosion can create the largest failure cost.
- Corrosion
- 82
- Chloride
- 79.7
- Oxygen
- 72
- Erosion
- 59.7
Minimum materials gate
Starts with measured coupons, online chemistry, a low-cost comparator, solids/salt control, oxygen discipline, and letdown inspection.
- Corrosion
- 75
- Chloride
- 68
- Oxygen
- 70
- Erosion
- 60.3
Cost-controlled materials screen
Screens whether cheaper stainless or Cr-rich surfaces can survive specific low-risk sections with chemistry control.
- Corrosion
- 74
- Chloride
- 69.7
- Oxygen
- 66
- Erosion
- 56.3
Generated materials package
Pyomo-gated six-control pressure-boundary package
Corrosion coupon and microscopy loop
Mass loss, pitting, crevice attack, weld-zone attack, SEM/EDS, scale composition, and before/after roughness.
Online chloride, sulfide, oxygen, and pH monitoring
Sampling lag, high-pressure letdown bias, ion chromatography, ORP/oxygen traceability, and alarm response.
Hot solids and salt deposition guard filter
Filter pressure drop, ash capture, salt precipitation temperature, cleaning cycle, oil loss, and under-deposit corrosion.
Pressure-letdown erosion trim inspection
Valve-seat wear, erosion mapping, solids dropout, flash/quench behavior, relief sizing, and inspection interval.
Ni-Cr-Mo alloy reactor and letdown trim
Crevice attack, chloride threshold, weld procedure, galvanic couples, erosion-corrosion at letdown, and procurement lead time.
Sanicro 35 wet-oxidation tube loop
Oxygen service compatibility, chloride tolerance, pressure cycling, weld/fitting behavior, and post-run oxide scale.
Corrosive markers
Which molecules and ions can stress alloys, fittings, sensors, and letdown trim
Phosphoric acid H3O4P
- Driver
- 98.4
- Hetero
- 5
- Halogen
- 0
- O atoms
- 4
Potassium carbonate CK2O3
- Driver
- 89.8
- Hetero
- 5
- Halogen
- 0
- O atoms
- 3
Sodium chloride ClNa
- Driver
- 62
- Hetero
- 2
- Halogen
- 1
- O atoms
- 0
Hydrogen peroxide H2O2
- Driver
- 55.1
- Hetero
- 2
- Halogen
- 0
- O atoms
- 2
Acetic acid C2H4O2
- Driver
- 54.3
- Hetero
- 2
- Halogen
- 0
- O atoms
- 2
Chloride ion Cl-
- Driver
- 54
- Hetero
- 1
- Halogen
- 1
- O atoms
- 0
Carbon dioxide CO2
- Driver
- 53.5
- Hetero
- 2
- Halogen
- 0
- O atoms
- 2
Oxygen O2
- Driver
- 53.5
- Hetero
- 2
- Halogen
- 0
- O atoms
- 2
Hydrogen sulfide H2S
- Driver
- 50
- Hetero
- 1
- Halogen
- 0
- O atoms
- 0
Water H2O
- Driver
- 39.9
- Hetero
- 1
- Halogen
- 0
- O atoms
- 1
Phenol C6H6O
- Driver
- 37.1
- Hetero
- 1
- Halogen
- 0
- O atoms
- 1
Ammonia H3N
- Driver
- 35.8
- Hetero
- 1
- Halogen
- 0
- O atoms
- 0
Control ledger
Each materials claim needs a coupon, chemistry, erosion, and pressure-safety proof path
Corrosion coupon and microscopy loop
Alloy claims are weak unless coupons see real sludge, salts, wet oxidation chemistry, weld zones, and hot pressure exposure.
- Corrosion
- 92
- Chloride
- 78
- Erosion
- 66
- Pressure
- 84
Online chloride, sulfide, oxygen, and pH monitoring
Corrosion excursions are chemistry events before they become leaks, plugged coils, or catalyst failures.
- Corrosion
- 82
- Chloride
- 88
- Erosion
- 40
- Pressure
- 78
Hot solids and salt deposition guard filter
Salt precipitation and solids deposition drive plugging, under-deposit corrosion, and downstream erosion.
- Corrosion
- 76
- Chloride
- 72
- Erosion
- 86
- Pressure
- 80
Pressure-letdown erosion trim inspection
Hot abrasive slurry and flashing risk make pressure letdown one of the highest-consequence material-loss locations.
- Corrosion
- 74
- Chloride
- 68
- Erosion
- 90
- Pressure
- 88
Ni-Cr-Mo alloy reactor and letdown trim
Nickel-rich alloys are candidates for chloride-rich, hot, pressurized, high-consequence sections where stainless baselines are too risky.
- Corrosion
- 88
- Chloride
- 86
- Erosion
- 70
- Pressure
- 86
Sanicro 35 wet-oxidation tube loop
Continuous HTL-aqueous wet oxidation used Sanicro35 tubing at HTL-like temperatures and pressures, making it a strong branch candidate.
- Corrosion
- 84
- Chloride
- 82
- Erosion
- 58
- Pressure
- 78
Oxygen-exclusion and reducing-environment control
HTL reactor sections and wet-oxidation branches have opposite oxygen requirements; oxygen crossover must be controlled.
- Corrosion
- 78
- Chloride
- 64
- Erosion
- 28
- Pressure
- 72
Feed pH, chloride, and additive control
Additives such as MgCl2, K2CO3, acids, and reducing metals can improve chemistry while increasing corrosion or salt-deposition risk.
- Corrosion
- 72
- Chloride
- 76
- Erosion
- 34
- Pressure
- 56
Titanium wet-air oxidation reactor tube
PNNL used titanium alloy tubing for HTL-aqueous wet air oxidation after observing corrosion in stainless tube reactors.
- Corrosion
- 86
- Chloride
- 84
- Erosion
- 48
- Pressure
- 72
Ferritic stainless high-Cr surface screen
Recent HTL materials work highlights ferritic stainless steels and Cr-rich surfaces as cost-controlled corrosion-control leads.
- Corrosion
- 74
- Chloride
- 66
- Erosion
- 60
- Pressure
- 66
SiC or ceramic liner for erosive sections
Ceramic barriers may protect pressure letdown or abrasive slurry sections, but brittle failure and sealing are major design risks.
- Corrosion
- 90
- Chloride
- 84
- Erosion
- 92
- Pressure
- 48
316L stainless baseline coupon only
316L is useful as a low-cost comparator, but it should not be assumed suitable for chloride-rich HTL or wet oxidation.
- Corrosion
- 48
- Chloride
- 38
- Erosion
- 52
- Pressure
- 82
Engineering challenges of continuous-flow HTL reactors
2026 review highlighting pumping, slurry stability, fouling, salt precipitation, solid deposition, corrosion, and pilot-demonstration gaps.
Open sourceMaterials performance considerations in HTL conversion of biomass
Materials-performance review emphasizing hot pressurized water, alkaline catalysts, chlorine, hydrogen sulfide, alloy selection, and cost/corrosion tradeoffs.
Open sourceTAPPI materials performance considerations in HTL
2025 TAPPI source describing Cr-rich corrosion-control strategies and ferritic stainless leads for simulated HTL alkaline water.
Open sourceContinuous wet oxidation of HTL aqueous phase
Continuous WO study using Sanicro35 tubing and 316 stainless fittings at HTL-like temperature and pressure.
Open sourceWet air oxidation of HTL aqueous waste
PNNL wet-air oxidation source noting titanium alloy tubing after stainless corrosion, plus salt, plugging, catalyst fouling, and metal-deposition concerns.
Open sourceWet oxidation of sewage-sludge HTL aqueous phase
Sewage-sludge HTL-aq wet oxidation source for oxygen, organic-acid formation, ammonia, heat release, and pressure/temperature conditions.
Open sourceElectrocatalytic oxidation of HTL aqueous phase for treatment and H2
PNNL source noting ammonium deactivation risk and chloride effects on oxidation and anode stability in HTL-aqueous treatment.
Open sourceWet-waste HTL TEA/LCA with upgrading strategies
2026 wet-waste HTL TEA/LCA context for process integration, upgrading, and capital-sensitive design choices.
Open sourcecontinuous HTL is not pilot-ready until coupons, chemistry monitoring, erosion inspection, and pressure-boundary materials are validated on real sludge