RDKit-checked feed, aqueous, syngas, oxidant, nutrient, PFAS, and salt markers used across the branch model
Docker-Generated Hydrothermal Branches
Hydrothermal Branch Lab
A 3D decision workspace for comparing HTL oil, HTL-aqueous electro-oxidation, wet oxidation, SCWG hydrogen, SCWO destruction, HTC nutrient recovery, RNG, pyrolysis, and gasification branches before a pilot route is locked.
oil, aqueous, supercritical, residual, RNG, and dry thermal branches compared with CoolProp water-state checks
top current support branch because aqueous burden and hydrogen closure can decide whether the HTL oil route scales
selected oil, aqueous, SCWG, SCWO, HTC, and RNG branches for the next comparative experiment package
aqueous support
HTL aqueous electro-oxidation with H2 and nutrient recovery
Use electrochemical oxidation as a support train to reduce HTL aqueous COD, recover hydrogen value, and steer nitrogen/nutrients before WRRF return.
Bench electrochemical HTL-AP test with COD, NH4-N, nitrate/nitrite, H2, chloride/byproduct, PFAS, energy, and electrode-fouling closure.
- Water state
- liquid water or biological
- Operating point
- 80 C / 0.1 MPa
- Density
- 971.8 kg/m3
- Scale
- 58
Pyomo-formulated hydrothermal branch selector with deterministic enumeration across oil, aqueous support, supercritical hydrogen/destruction, residual nutrient, and biological baseline constraints. Current package covers 6 branch categories and 16 molecular/process markers.
Molecules and process markers tied to this branch
Acetic acid; Phenol; Pyridine; Ammonia; Hydrogen; Sodium chloride
The marker panel mixes feed proxies, aqueous inhibitors, syngas markers, oxidants, salts, PFAS sentinels, and nutrient species so the branch decision does not hide water, pressure, contaminant, or residual penalties.
- Top marker
- Pyridine
- Experiments
- HTL aqueous electro-oxidation support run
HTL stays the main oil-based route, but SCWG, SCWO, wet oxidation, HTC, and RNG branches are kept visible as support or fallback routes until measured site data chooses the actual train.
CoolProp water-state checks keep pressure, phase behavior, and thermal severity visible across subcritical HTL, supercritical branches, wet oxidation, and biological comparators.
Pyridine, phenol, acetic acid, ammonia, hydrogen, carbon monoxide, oxygen, PFOA, salts, glycine, glucose, and oleic acid anchor the branch model to measurable chemistry rather than a generic process diagram.
Current branch decision
HTL is the oil-route lead, but the support train decides whether it becomes practical
The project should keep HTL biocrude plus staged hydrotreating as the leading oil-based fuel route, while testing electrochemical HTL aqueous treatment, wet oxidation heat integration, SCWG hydrogen, SCWO destruction, HTC phosphorus recovery, and RNG branches as support or fallback routes. The branch decision must be based on measured carbon, water, contaminants, energy, residuals, and site compatibility.
6 branch categories are covered by the selected Docker-generated package.
HTL aqueous electro-oxidation with H2 and nutrient recovery leads the model because water-side support has direct fuel-readiness leverage.
HTL biocrude remains the strongest oil pathway, but it still needs hydrotreating and release validation.
SCWO and wet oxidation stay visible for PFAS-heavy or toxicity-heavy cases that should not be routed to product.
Selected branch package
Six branches to test before the pilot route is locked around oil yield alone
HTL aqueous electro-oxidation with H2 and nutrient recovery
Score 86.1; oil 32; H2/syngas 86; destruction 76; water state liquid water or biological. Proof required: Bench electrochemical HTL-AP test with COD, NH4-N, nitrate/nitrite, H2, chloride/byproduct, PFAS, energy, and electrode-fouling closure.
HTL biocrude plus staged hydrotreating
Score 82.5; oil 96; H2/syngas 54; destruction 48; water state subcritical/hot compressed water. Proof required: Continuous wet-sludge HTL run with oil/water/char/gas closure, hydrotreating release, nitrogen/PFAS/metals fate, and product property tests.
SCWG hydrogen and syngas branch
Score 70.1; oil 12; H2/syngas 96; destruction 76; water state supercritical water. Proof required: High-pressure SCWG test with H2/CO/CH4/CO2 gas closure, alkali catalyst salt behavior, char/tar, corrosion, N/S/Cl, and PFAS fate.
APAD plus biological methanation RNG branch
Score 68.1; oil 0; H2/syngas 48; destruction 38; water state liquid water or biological. Proof required: BMP/APAD plus methanation test with methane yield, inhibition, nutrients, H2/CO2 balance, digestate PFAS/metals, and site-energy comparison.
HTC hydrochar and phosphorus recovery branch
Score 67.2; oil 8; H2/syngas 6; destruction 52; water state subcritical/hot compressed water. Proof required: HTC hydrochar test with phosphorus recovery, dewaterability, metals/PFAS leaching, HHV, char use, and filtrate return-load data.
SCWO contaminant destruction fallback
Score 61.8; oil 0; H2/syngas 16; destruction 98; water state supercritical water. Proof required: SCWO destruction test with PFAS/TOF, halide acid gas, salt deposition, corrosion, energy recovery, effluent toxicity, and pressure-safety data.
Branch ledger
Every branch is scored against oil readiness, hydrogen or syngas value, destruction, nutrients, scale, and water burden
HTL aqueous electro-oxidation with H2 and nutrient recovery
- Score
- 86.1
- Oil
- 32
- H2
- 86
- Scale
- 58
HTL biocrude plus staged hydrotreating
- Score
- 82.5
- Oil
- 96
- H2
- 54
- Scale
- 76
Co-HTL with FOG and food waste
- Score
- 77.1
- Oil
- 90
- H2
- 46
- Scale
- 62
Wet oxidation heat-integration branch
- Score
- 75.2
- Oil
- 22
- H2
- 24
- Scale
- 62
Dried-sludge pyrolysis comparator
- Score
- 73.1
- Oil
- 40
- H2
- 28
- Scale
- 68
SCWG hydrogen and syngas branch
- Score
- 70.1
- Oil
- 12
- H2
- 96
- Scale
- 48
APAD plus biological methanation RNG branch
- Score
- 68.1
- Oil
- 0
- H2
- 48
- Scale
- 82
HTC hydrochar and phosphorus recovery branch
- Score
- 67.2
- Oil
- 8
- H2
- 6
- Scale
- 70
Dried-sludge gasification comparator
- Score
- 65.4
- Oil
- 0
- H2
- 78
- Scale
- 60
Anaerobic digestion RNG baseline
- Score
- 64.5
- Oil
- 0
- H2
- 34
- Scale
- 92
SCWO contaminant destruction fallback
- Score
- 61.8
- Oil
- 0
- H2
- 16
- Scale
- 44
Category ledger
The branch model separates oil creation from support, fallback, nutrient, and baseline decisions
- Branches
- 1
- Score
- 86.1
- Oil
- 32
- Destruct.
- 76
- Branches
- 1
- Score
- 82.5
- Oil
- 96
- Destruct.
- 48
- Branches
- 1
- Score
- 77.1
- Oil
- 90
- Destruct.
- 48
- Branches
- 1
- Score
- 75.2
- Oil
- 22
- Destruct.
- 90
- Branches
- 1
- Score
- 70.1
- Oil
- 12
- Destruct.
- 76
- Branches
- 2
- Score
- 69.2
- Oil
- 20
- Destruct.
- 77
- Branches
- 1
- Score
- 68.1
- Oil
- 0
- Destruct.
- 38
- Branches
- 1
- Score
- 67.2
- Oil
- 8
- Destruct.
- 52
- Branches
- 1
- Score
- 64.5
- Oil
- 0
- Destruct.
- 28
- Branches
- 1
- Score
- 61.8
- Oil
- 0
- Destruct.
- 98
Selected experiment package
The first package tests oil release, aqueous recovery, supercritical branches, residuals, and the RNG baseline together
HTL aqueous electro-oxidation support run
electrochemical flow cell with COD, TOC, NH4-N, nitrate/nitrite, H2, conductivity, chloride byproducts, PFAS, and electrode fouling
Tests whether aqueous burden can become hydrogen, nutrient, or return-water value.
HTL oil reference and hydrotreating release run
continuous HTL, oil/water/char/gas closure, CHNSO, SimDist, GCxGC/HRMS, hydrotreating, hydrogen balance
Defines whether the oil route is still the lead branch after product and water penalties.
SCWG hydrogen and syngas stress run
supercritical water gasification matrix at 450-550 C with gas GC, char/tar, salt deposition, catalyst, N/S/Cl, and corrosion data
Tests whether high-moisture sludge should shift toward hydrogen or syngas in water-heavy cases.
SCWO contaminant destruction fallback run
SCWO test with PFAS/TOF, PPCP destruction, halides, salt deposition, corrosion, effluent toxicity, and energy recovery
Defines the fallback for feed weeks that cannot be safely routed to fuel, char, or WRRF return.
HTC hydrochar phosphorus and leachate run
HTC campaign with hydrochar yield, P recovery, metals/PFAS leaching, dewaterability, filtrate COD/N, and HHV
Tests whether low-temperature hydrothermal routing is the better residual branch for some sludge windows.
AD/APAD RNG baseline and methanation run
BMP/APAD plus methanation run with methane yield, H2/CO2 balance, inhibition, digestate contaminants, and operating cost
Keeps the liquid-fuel route honest against the site baseline and a lower-capex RNG branch.
Molecular and process marker ledger
Markers that make oil, aqueous burden, syngas, oxidation, nutrients, salts, and contaminants visible
Pyridine C5H5N
- Priority
- 63.9
- Oil
- 68
- H2
- 20
- Risk
- 88
Glycine C2H5NO2
- Priority
- 57.5
- Oil
- 54
- H2
- 46
- Risk
- 62
Phenol C6H6O
- Priority
- 52.3
- Oil
- 44
- H2
- 28
- Risk
- 84
PFOA C8HF15O2
- Priority
- 48.9
- Oil
- 30
- H2
- 0
- Risk
- 100
Oleic acid C17H32O2
- Priority
- 48.5
- Oil
- 96
- H2
- 46
- Risk
- 30
Glucose C6H12O6
- Priority
- 46.6
- Oil
- 46
- H2
- 64
- Risk
- 38
Hydrogen H2
- Priority
- 45.8
- Oil
- 72
- H2
- 100
- Risk
- 30
Acetic acid C2H4O2
- Priority
- 44.9
- Oil
- 18
- H2
- 62
- Risk
- 58
Water H2O
- Priority
- 42.3
- Oil
- 12
- H2
- 42
- Risk
- 68
Oxygen O2
- Priority
- 39.8
- Oil
- 0
- H2
- 0
- Risk
- 86
Ammonia H3N
- Priority
- 39.7
- Oil
- 0
- H2
- 8
- Risk
- 74
Phosphoric acid H3O4P
- Priority
- 28.6
- Oil
- 0
- H2
- 0
- Risk
- 52
Carbon dioxide CO2
- Priority
- 28.4
- Oil
- 0
- H2
- 0
- Risk
- 50
Carbon monoxide CO
- Priority
- 25.9
- Oil
- 0
- H2
- 72
- Risk
- 48
Sodium chloride ClNa
- Priority
- 25.7
- Oil
- 0
- H2
- 0
- Risk
- 92
Methane CH4
- Priority
- 14.6
- Oil
- 0
- H2
- 42
- Risk
- 26
Highest branch markers
Pyridine, PFOA, oxygen, phenol, ammonia, salts, hydrogen, and oleic acid define the branch trade space
Pyridine
refractory nitrogen marker for hydrotreating, aqueous treatment, and WRRF inhibition. Oil signal 68; H2 signal 20; destruction signal 78; source IDs branch-water-research-2026; branch-frontiers-aqueous-2026.
Glycine
protein nitrogen proxy for HTL oil nitrogen and aqueous ammonia. Oil signal 54; H2 signal 46; destruction signal 58; source IDs branch-water-research-2026.
Phenol
toxicity and oxidation marker for aqueous support branches. Oil signal 44; H2 signal 28; destruction signal 82; source IDs branch-aqueous-review-2026; branch-frontiers-aqueous-2026.
PFOA
fluorinated contaminant marker for SCWO/PFAS-control fallback logic. Oil signal 30; H2 signal 0; destruction signal 90; source IDs branch-water-research-2026; branch-aqueous-review-2026.
Oleic acid
lipid proxy for oil-yield upside and hydrotreating feed quality. Oil signal 96; H2 signal 46; destruction signal 50; source IDs branch-water-research-2026; branch-rsc-wet-waste-2026.
Glucose
carbohydrate proxy for aqueous oxygenates, char, and gasification carbon. Oil signal 46; H2 signal 64; destruction signal 64; source IDs branch-water-research-2026; branch-scwg-h2-2025.
Hydrogen
hydrotreating demand and SCWG/electrochemical co-product. Oil signal 72; H2 signal 100; destruction signal 10; source IDs branch-scwg-h2-2025; branch-electro-oxidation-2026.
Acetic acid
water-side COD marker for electro-oxidation, wet oxidation, AD, and recycle limits. Oil signal 18; H2 signal 62; destruction signal 72; source IDs branch-aqueous-review-2026; branch-pnnl-aqueous-monetization-2024.
Full experiment ledger
Follow-on work keeps dry thermal and wet oxidation comparators visible even when they are not selected first
HTL aqueous electro-oxidation support run
Urgency 99.4; branch score 86.1. Tests whether aqueous burden can become hydrogen, nutrient, or return-water value.
HTL oil reference and hydrotreating release run
Urgency 98.2; branch score 79.8. Defines whether the oil route is still the lead branch after product and water penalties.
SCWG hydrogen and syngas stress run
Urgency 86.7; branch score 67.8. Tests whether high-moisture sludge should shift toward hydrogen or syngas in water-heavy cases.
Continuous wet oxidation heat-recovery run
Urgency 84.3; branch score 75.2. Tests whether wet oxidation protects biology while reducing net HTL heat burden.
SCWO contaminant destruction fallback run
Urgency 83.4; branch score 61.8. Defines the fallback for feed weeks that cannot be safely routed to fuel, char, or WRRF return.
HTC hydrochar phosphorus and leachate run
Urgency 83.2; branch score 67.2. Tests whether low-temperature hydrothermal routing is the better residual branch for some sludge windows.
AD/APAD RNG baseline and methanation run
Urgency 80.6; branch score 66.3. Keeps the liquid-fuel route honest against the site baseline and a lower-capex RNG branch.
Dry pyrolysis and gasification comparator run
Urgency 69.7; branch score 69.2. Prevents dry thermal options from being dismissed or promoted without moisture and cleanup penalties.
branch-water-research-2026
Municipal sludge HTL biocrude production and fuel-quality upgrading
Recent municipal sludge HTL review framing biocrude production, upgrading, byproduct utilization, and industrialization barriers.
Open sourcebranch-aqueous-review-2026
Recent advances on treatment and valorization of HTL aqueous phase
2026 review source for integrated aqueous treatment trains, wet oxidation, electro-oxidation, hydrogen co-production, salts, metals, and nutrient recovery.
Open sourcebranch-frontiers-aqueous-2026
Hydrothermal liquefaction aqueous phase treatment, product recovery, and downstream implications
Frontiers topic source connecting HTL aqueous phase, AD, inhibition, sewage sludge, supercritical water, and downstream WRRF implications.
Open sourcebranch-energy-tea-lca-2026
TEA/LCA of municipal sewage sludge HTL liquid biofuels
Energy source for upgraded sewage-sludge HTL fuel carbon intensity, hydrotreatment need, and AI-aided TEA/LCA context.
Open sourcebranch-rsc-wet-waste-2026
Wet-waste HTL TEA/LCA with different upgrading strategies
RSC Sustainability source comparing wet-waste HTL feedstocks and marine fuel, renewable diesel, and SAF upgrading strategies.
Open sourcebranch-scwg-h2-2025
Optimizing hydrogen production from wastewater-derived sewage sludge via alkali-catalyzed SCWG
SCWG source for high-temperature sludge-to-hydrogen screening at 450-550 C, residence time, heating rate, and catalyst loading.
Open sourcebranch-continuous-wo-2025
Continuous wet oxidation of HTL aqueous phase: oxidant supply and integration potential
Continuous wet oxidation source for treating HTL aqueous phase and recovering process heat/integration value.
Open sourcebranch-scwg-scwo-sofc-2025
SCWG-SCWO-SOFC sludge system for power generation and solar thermal utilization
Supercritical water system source for combining gasification, oxidation, fuel-cell power, and solar thermal integration.
Open sourcebranch-sequential-htl-ad-2026
Sequential HTL and AD for resource recovery from diverse sludge streams
Sequential HTL/AD source for tailoring resource recovery and biological conversion around nutrient-rich aqueous phases and inhibitory boundaries.
Open sourcebranch-electro-oxidation-2026
Electrochemical oxidation of HTL aqueous phase: degradation, hydrogen, and nutrient recovery
Electrochemical HTL-aqueous source for COD degradation, hydrogen generation, and nutrient recovery as a support branch.
Open sourcebranch-thermochemical-review-2025
Thermochemical conversion of sewage sludge: pyrolysis and gasification progress
Review source for dry pyrolysis and gasification comparators, moisture penalty, reactor risk, and thermal-conversion context.
Open sourcebranch-pnnl-aqueous-monetization-2024
Aqueous-phase product treatment and monetization options for wet-waste HTL
PNNL source for aqueous treatment burden, COD, nitrogen, fuel gas, fertilizer byproducts, and monetization options.
Open sourceHTL remains the current oil-route lead, but a pilot plan should keep aqueous electro-oxidation, wet oxidation, SCWG hydrogen, SCWO destruction, HTC nutrient recovery, and RNG branches visible until site tests prove which combination closes carbon, contaminants, heat, water, and permitting. Modeling basis: hydrothermal branch discovery for sewage-sludge fuel, hydrogen, destruction, nutrient, and fallback routes. Selected package: HTL aqueous electro-oxidation with H2 and nutrient recovery; HTL biocrude plus staged hydrotreating; SCWG hydrogen and syngas branch; APAD plus biological methanation RNG branch; HTC hydrochar and phosphorus recovery branch; SCWO contaminant destruction fallback.