RDKit-checked inorganic and mixed markers across salts, metals, phosphorus, aqueous recycle, and catalyst-stress signals
Docker-Generated Inorganic Fate Gate Package
Inorganic Fate Lab
A 3D gate workspace that keeps chloride, ash, salts, phosphorus, heavy metals, catalyst protection, and fouling controls coupled before sewage-derived fuel scale-up claims are treated as deployment-ready.
solids, chloride, guard-bed, phosphorus, metals, fouling, and integrated release gates scored for scale-up readiness
top current gate because inorganic closure fails when phase split, catalyst, and thermal train checks are separated
selected gates spanning chloride control, solids capture, phosphorus routing, metals fate, recycle, and integrated release review
integrated release package
Integrated inorganic release package gate
Bundle solids separation, chloride control, phosphorus routing, metals fate, and fouling limits into one release dossier.
Run cross-functional package review proving inorganic closure before pilot and commercialization claims.
- Phosphorus
- 90
- Catalyst
- 88
- Plugging
- 90
- Recycle
- 82
Pyomo-formulated inorganic-fate selector with deterministic enumeration across solids, salts, metals, chloride, and release gates. Current package covers 6 categories and 17 inorganic markers.
Markers tied to this gate
Chloride; Orthophosphate; Calcium; Ferrous iron; Copper; Zinc; Orthosilicic acid; Water
This gate set keeps ionic salts, mineral precipitation, hydrochar metals, and catalyst stress markers visible so high oil conversion is not confused with scale-ready operation.
- Top marker
- Chloride
- Experiments
- Integrated inorganic release rehearsal; Hydrochar metals concentration and leachability run
Inorganic controls must run with hydrotreating and aqueous recycle experiments, because chloride and salts can collapse catalyst and heat-train reliability even when biocrude yield looks strong.
Current inorganic decision
Fuel conversion proof is not inorganic closure proof
The plan can convert sludge to oil-like biocrude and still fail pilot reliability if chloride, salts, metals, phosphorus minerals, and fouling are not measured together. This page keeps those controls linked so commercialization claims are blocked until inorganic release gates close.
6 inorganic categories are covered by the selected package.
Chloride remains a high-consequence control because extraction and upgrading compatibility can collapse unexpectedly.
Hydrochar metals concentration and leachability remain required before reuse or disposal claims.
Thermal-train and solids handling gates remain central to high-solids continuous HTL operation.
Selected inorganic package
Six gates that should pass before scale-up is presented as deployment-ready
Integrated inorganic release package gate
Score 90.1; solids 90; chloride 88; phosphorus 90; metals 92. Proof required: Run cross-functional package review proving inorganic closure before pilot and commercialization claims.
Reaction-condition solids separation gate
Score 75.9; solids 92; chloride 54; phosphorus 76; metals 74. Proof required: Demonstrate solids separation location, ash partitioning, and differential plugging behavior under continuous operation.
Aqueous salt recycle concentration gate
Score 72; solids 64; chloride 84; phosphorus 58; metals 62. Proof required: Set recycle concentration limits and validate stability under repeated loops and seasonal feed variation.
Chloride and extraction-compatibility gate
Score 70.4; solids 54; chloride 96; phosphorus 44; metals 62. Proof required: Map chloride by stream and show extraction/upgrading conditions that avoid corrosion and catalyst collapse.
Heavy-metal hydrochar fate gate
Score 68.9; solids 78; chloride 34; phosphorus 62; metals 98. Proof required: Close metals mass balance and leachability thresholds before hydrochar reuse or disposal claims are promoted.
Phosphorus mineral routing and recovery gate
Score 67.8; solids 72; chloride 36; phosphorus 96; metals 70. Proof required: Demonstrate phosphorus phase and mineral form under target operating window with recovery or compliance-ready routing.
Gate ledger
Each gate is scored against solids, salts, chloride, metals, catalyst protection, and plugging risk
Integrated inorganic release package gate
- Score
- 90.1
- Solids
- 90
- Chloride
- 88
- Metals
- 92
Reaction-condition solids separation gate
- Score
- 75.9
- Solids
- 92
- Chloride
- 54
- Metals
- 74
Guard-bed inorganic poison gate
- Score
- 74.6
- Solids
- 62
- Chloride
- 90
- Metals
- 88
Co-hydrothermal additive and inorganic steering gate
- Score
- 72.9
- Solids
- 76
- Chloride
- 62
- Metals
- 90
Aqueous salt recycle concentration gate
- Score
- 72
- Solids
- 64
- Chloride
- 84
- Metals
- 62
Chloride and extraction-compatibility gate
- Score
- 70.4
- Solids
- 54
- Chloride
- 96
- Metals
- 62
Deashing and fines management gate
- Score
- 69.2
- Solids
- 86
- Chloride
- 46
- Metals
- 68
Heavy-metal hydrochar fate gate
- Score
- 68.9
- Solids
- 78
- Chloride
- 34
- Metals
- 98
Phosphorus mineral routing and recovery gate
- Score
- 67.8
- Solids
- 72
- Chloride
- 36
- Metals
- 70
Heat-exchanger fouling and inserts gate
- Score
- 63.6
- Solids
- 80
- Chloride
- 42
- Metals
- 60
Category ledger
Inorganic readiness depends on linked solids, chloride, metals, and recycle controls
- Gates
- 1
- Score
- 90.1
- Solids
- 90
- Plugging
- 90
- Gates
- 1
- Score
- 75.9
- Solids
- 92
- Plugging
- 94
- Gates
- 1
- Score
- 74.6
- Solids
- 62
- Plugging
- 74
- Gates
- 1
- Score
- 72.9
- Solids
- 76
- Plugging
- 72
- Gates
- 1
- Score
- 72
- Solids
- 64
- Plugging
- 78
- Gates
- 1
- Score
- 70.4
- Solids
- 54
- Plugging
- 72
- Gates
- 1
- Score
- 69.2
- Solids
- 86
- Plugging
- 90
- Gates
- 1
- Score
- 68.9
- Solids
- 78
- Plugging
- 68
- Gates
- 1
- Score
- 67.8
- Solids
- 72
- Plugging
- 66
- Gates
- 1
- Score
- 63.6
- Solids
- 80
- Plugging
- 96
Selected experiment package
The first package links solids, chloride, metals, phosphorus, and recycle concentration tests
Integrated inorganic release rehearsal
Run one release-package review linking separation, salts, chloride, metals, phosphorus, and fallback routing.
Ensures inorganic risk is governance-ready before external deployment claims.
Hydrochar metals concentration and leachability run
Close heavy-metals mass balance and leaching thresholds for hydrochar reuse/disposal routes.
Prevents open-loop solids claims that ignore metals release risk.
Chloride-to-hydrotreating compatibility run
Track chloride speciation and catalyst response across extraction and upgrading conditions.
Prevents catalyst deactivation and corrosion surprises during upgrading scale-up.
Inorganic poison guard-bed breakthrough run
Run breakthrough and pressure-drop tests with representative chloride, metals, and heteroatom loading.
Defines catalyst-protection requirements before long-duration upgrading campaigns.
Hot solids-separation and ash partition campaign
Compare separator position and mechanism with inorganic partition, ash concentration, and plugging outcomes.
Sets the process architecture for inorganic control before pilot heat-train lock-in.
Phosphorus mineral-form and recovery run
Measure phosphorus partitioning and mineral forms (including Fe/Ca routes) under target hydrothermal conditions.
Decides whether phosphorus is routed for recovery or compliance-safe solids management.
Heat-exchanger inserts and fouling-control run
Validate insert-assisted heat exchange and fouling control with high-solids/high-ash slurry feeds.
Reduces plugging risk and thermal-train uncertainty before pilot throughput escalation.
Aqueous recycle salt-accumulation run
Cycle process water repeatedly and quantify ionic accumulation, compatibility drift, and corrective actions.
Sets recycle policy and blowdown rules for stable long-run operation.
Marker ledger
Markers that expose whether the process is controlling inorganics or only moving them across streams
Chloride Cl-
- Priority
- 73.8
- Scaling
- 66
- Chloride/Cor.
- 96
- Metals/Leach
- 62
Ferric iron Fe+3
- Priority
- 68.9
- Scaling
- 72
- Chloride/Cor.
- 56
- Metals/Leach
- 60
Ferrous iron Fe+2
- Priority
- 67.5
- Scaling
- 68
- Chloride/Cor.
- 54
- Metals/Leach
- 62
Calcium Ca+2
- Priority
- 64
- Scaling
- 86
- Chloride/Cor.
- 46
- Metals/Leach
- 44
Copper Cu+2
- Priority
- 62
- Scaling
- 40
- Chloride/Cor.
- 50
- Metals/Leach
- 84
Zinc Zn+2
- Priority
- 60.7
- Scaling
- 44
- Chloride/Cor.
- 46
- Metals/Leach
- 82
Orthophosphate O4P-3
- Priority
- 59.7
- Scaling
- 74
- Chloride/Cor.
- 20
- Metals/Leach
- 66
Magnesium Mg+2
- Priority
- 58.7
- Scaling
- 78
- Chloride/Cor.
- 42
- Metals/Leach
- 40
Nickel Ni+2
- Priority
- 58.6
- Scaling
- 36
- Chloride/Cor.
- 42
- Metals/Leach
- 78
Sodium Na+
- Priority
- 58
- Scaling
- 72
- Chloride/Cor.
- 54
- Metals/Leach
- 56
Orthosilicic acid H4O4Si
- Priority
- 56.3
- Scaling
- 88
- Chloride/Cor.
- 34
- Metals/Leach
- 42
Potassium K+
- Priority
- 55.7
- Scaling
- 70
- Chloride/Cor.
- 50
- Metals/Leach
- 54
Sulfate O4S-2
- Priority
- 55.5
- Scaling
- 76
- Chloride/Cor.
- 48
- Metals/Leach
- 58
Lead Pb+2
- Priority
- 55.4
- Scaling
- 30
- Chloride/Cor.
- 40
- Metals/Leach
- 92
Pyridine C5H5N
- Priority
- 51.1
- Scaling
- 26
- Chloride/Cor.
- 36
- Metals/Leach
- 44
Ammonium H4N+
- Priority
- 50.2
- Scaling
- 42
- Chloride/Cor.
- 24
- Metals/Leach
- 62
Phenol C6H6O
- Priority
- 48.1
- Scaling
- 34
- Chloride/Cor.
- 32
- Metals/Leach
- 48
Water H2O
- Priority
- 28
- Scaling
- 20
- Chloride/Cor.
- 16
- Metals/Leach
- 24
Highest marker priorities
Chloride, iron species, phosphorus, and heavy metals anchor inorganic release readiness
Chloride
corrosion and catalyst stress marker linked to extraction and hydrotreating compatibility. Measurement signal 86; catalyst-poison signal 88; source IDs inorg-rti-2022-chloride; inorg-watres-2026-htl-review.
Ferric iron
Fe-assisted phosphorus crystallization and solids-routing marker. Measurement signal 82; catalyst-poison signal 66; source IDs inorg-fuel-2026-vivianite.
Ferrous iron
phosphorus mineralization and hydrochar metals-fate marker. Measurement signal 84; catalyst-poison signal 64; source IDs inorg-fuel-2026-vivianite; inorg-jwpe-2025-metals-pfas.
Calcium
mineral precipitation marker for scaling and phosphorus co-precipitation. Measurement signal 84; catalyst-poison signal 58; source IDs inorg-jwpe-2025-metals-pfas; inorg-fuel-2026-vivianite.
Copper
hydrochar heavy-metal concentration marker for beneficial-use and disposal boundaries. Measurement signal 88; catalyst-poison signal 72; source IDs inorg-jwpe-2025-metals-pfas.
Zinc
trace-metal fate marker for solids routing and leachability controls. Measurement signal 88; catalyst-poison signal 68; source IDs inorg-jwpe-2025-metals-pfas.
Orthophosphate
nutrient-recovery and precipitation-control anchor. Measurement signal 90; catalyst-poison signal 38; source IDs inorg-rser-2025-systematic; inorg-fuel-2026-vivianite.
Magnesium
struvite and phosphate-recovery participation marker. Measurement signal 80; catalyst-poison signal 44; source IDs inorg-cep-2026-ap-review; inorg-fuel-2026-vivianite.
Full experiment ledger
Unselected and selected campaigns remain explicit as hold points before pilot release claims
Integrated inorganic release rehearsal
Urgency 95.9; gate score 78.9. Ensures inorganic risk is governance-ready before external deployment claims.
Hydrochar metals concentration and leachability run
Urgency 93.4; gate score 79.5. Prevents open-loop solids claims that ignore metals release risk.
Chloride-to-hydrotreating compatibility run
Urgency 92.4; gate score 72.5. Prevents catalyst deactivation and corrosion surprises during upgrading scale-up.
Inorganic poison guard-bed breakthrough run
Urgency 91.3; gate score 72.5. Defines catalyst-protection requirements before long-duration upgrading campaigns.
Hot solids-separation and ash partition campaign
Urgency 90.6; gate score 69.8. Sets the process architecture for inorganic control before pilot heat-train lock-in.
Phosphorus mineral-form and recovery run
Urgency 88.2; gate score 70.3. Decides whether phosphorus is routed for recovery or compliance-safe solids management.
Heat-exchanger inserts and fouling-control run
Urgency 87.3; gate score 69.8. Reduces plugging risk and thermal-train uncertainty before pilot throughput escalation.
Aqueous recycle salt-accumulation run
Urgency 87.2; gate score 70.6. Sets recycle policy and blowdown rules for stable long-run operation.
inorg-watres-2026-htl-review
Hydrothermal liquefaction of municipal sludge: biocrude production and fuel quality upgrading
Water Research 2026 review summarizing sludge HTL complexity, heteroatom burden, ash-linked upgrading limits, and pilot-integration needs.
Open sourceinorg-rser-2025-systematic
Hydrothermal liquefaction of sewage sludge: comprehensive review of biocrude production and byproducts valorization
Systematic review reports nitrogen trending to aqueous fractions while phosphorus and metals concentrate in solids, requiring explicit byproduct routing.
Open sourceinorg-seppur-2025-separation
Influence of separation mechanism and position on char formation in continuous HTL
Continuous HTL study shows reaction-condition solids separation can concentrate inorganics and materially influence downstream plugging risk.
Open sourceinorg-jwpe-2025-metals-pfas
Catalytic and co-hydrothermal treatment of sewage sludge: hydrochar properties and fate of heavy metals and PFAS
Open-access study tracks heavy-metals partitioning and PFAS behavior under catalytic and co-hydrothermal conditions with additive effects.
Open sourceinorg-rti-2022-chloride
Hydrotreatment of solvent-extracted biocrude from HTL of municipal sewage sludge
RTI summary highlights chloride-linked catalyst deactivation, polymerization, and corrosion challenges for certain extraction/upgrading conditions.
Open sourceinorg-pnnl-32731
PNNL-32731 Wet Waste Hydrothermal Liquefaction state-of-technology report
PNNL report identifies deashing and advanced solids removal as key to reducing equipment plugging and operating risk for high-ash sludges.
Open sourceinorg-biombioe-2025-apr-review
Aqueous phase recirculation in hydrothermal liquefaction: a critical review
APR review frames process-water recirculation as beneficial but strongly dependent on composition control, including salts and inhibitors.
Open sourceinorg-cep-2026-ap-review
Recent advances on treatment and valorization of HTL aqueous phase
2026 review highlights inorganic salts and trace metals in HTL aqueous streams and supports hybrid treatment trains for robust scale-up.
Open sourceinorg-fuel-2026-vivianite
In-situ recrystallization mechanism of vivianite-phosphorus in hydrochar during Fe(III)-induced hydrothermal treatment of sewage sludge
Fuel 2026 reports phosphorus enrichment and vivianite formation pathways in hydrochar under Fe-assisted hydrothermal treatment.
Open sourcethe fuel plan is not scale-ready until ash, salts, chloride, metals, phosphorus, and plugging risks are closed together. Modeling basis: inorganic partitioning, chloride and metals control, phosphorus routing, and continuous HTL plugging/corrosion evidence. Selected package: Integrated inorganic release package gate; Reaction-condition solids separation gate; Aqueous salt recycle concentration gate; Chloride and extraction-compatibility gate; Heavy-metal hydrochar fate gate; Phosphorus mineral routing and recovery gate.