RDKit-checked molecular markers across feedstock, aqueous burden, PFAS, chloride, fuel hydrocarbons, hydrogen, and methane
Docker-Generated Campaign Simulation
Campaign Simulator
A bench-to-pilot validation planner that turns the sewage-to-fuel research stack into a sequenced campaign across feedstock assays, HTL conversion, aqueous recycle, contaminants, materials, upgrading, process modeling, TEA/LCA, and release rehearsal.
validation packages scored for proof power, uncertainty reduction, pilot-blocking value, sample burden, automation, and cost
top package because every release claim has to survive an integrated bench-to-pilot dossier review
calendar days in the current prerequisite-aware simulated campaign schedule
feedstock assay
30-day site feedstock and sludge assay campaign
Defines the matrix, contaminants, solids, ash, PFAS, and seasonal variability before reactor claims are trusted.
Site-specific feedstock envelope, sample custody table, and contaminant trigger list.
- Stage
- Intake
- Duration
- 30 days
- Uncertainty
- 86
- Automation
- 72
Pyomo-formulated validation-campaign selector with deterministic enumeration and prerequisite closure. Current package covers 12 categories, 12 molecular markers, and 254 bench-days of work.
Molecules tied to this package
Water; Ammonia; PFOA; PFOS; Chloride; Orthophosphate
The selected package keeps sewage-to-fuel claims tied to marker molecules, measured gates, and a calendar sequence rather than a single oil-yield result.
- Top marker
- Chloride
- Critical path
- Yes
The campaign deliberately pairs feedstock assays, HTL conversion, aqueous recycle, biology, PFAS/metals, inorganic fouling, hydrotreating, and TEA/LCA before any pilot release rehearsal.
A 153-day integrated schedule is a planning model, not proof of readiness. It becomes decision evidence only after the assays, phase ledgers, molecular checks, and pilot-blocking gates are measured.
The unselected fuel-property stress screen remains visible as a follow-on claim gate after the first integrated release package closes.
Current campaign decision
The fuel plan is a validation campaign, not a ready-to-use product
The leading plan can be created as a research and bench-testing program: sample sludge, run HTL, close oil/water/char/gas ledgers, test aqueous recycle and plant biology, route PFAS and metals, expose materials and catalysts, then update TEA/LCA before a pilot rehearsal. It is not ready for fuel use until those measured packages pass together.
12 validation categories are covered by the selected Pyomo package.
Chloride leads because corrosion, salts, oil carryover, and hydrotreating exposure can block pilot hardware.
critical-path packages drive the 153-day sequenced release rehearsal.
proof power stays paired with uncertainty reduction and pilot-blocking risk.
Selected campaign package
Twelve packages that must close before pilot-ready language is defensible
30-day site feedstock and sludge assay campaign
Score 73.1; proof 96; uncertainty 86; pilot blocker 94. Deliverable: Site-specific feedstock envelope, sample custody table, and contaminant trigger list.
Baseline HTL phase and element balance
Score 71.8; proof 92; uncertainty 82; pilot blocker 90. Deliverable: Baseline product distribution and element ledger.
Temperature, residence, and solids severity DOE
Score 66.7; proof 84; uncertainty 82; pilot blocker 76. Deliverable: Response surface for oil yield, aqueous burden, nitrogen split, and char/ash behavior.
Six-cycle aqueous recirculation stress campaign
Score 67.4; proof 86; uncertainty 78; pilot blocker 88. Deliverable: Cycle-by-cycle water-quality and oil-quality drift limits.
AD, BMP, and nitrification compatibility panel
Score 63.1; proof 82; uncertainty 74; pilot blocker 84. Deliverable: BMP, inhibition, acclimation, and return-load limits.
Solvent-minimized oil/water/char recovery campaign
Score 66.7; proof 84; uncertainty 72; pilot blocker 82. Deliverable: Phase recovery, emulsion, water carryover, char moisture, and mass-closure protocol.
Inorganic, fouling, and corrosion coupon loop
Score 69.8; proof 88; uncertainty 76; pilot blocker 94. Deliverable: DP trend, coupon microscopy, chloride/salt threshold, and cleaning protocol.
PFAS, metals, and hydrochar leachability closure
Score 71; proof 94; uncertainty 80; pilot blocker 98. Deliverable: Cross-phase PFAS/metals ledger and residual routing decision.
Mild hydrotreating and catalyst exposure run
Score 67.7; proof 90; uncertainty 78; pilot blocker 92. Deliverable: Hydrogen uptake, HDN/HDO/HDS, catalyst pressure-drop, coke, and product assay package.
Kinetic/process model calibration and uncertainty update
Score 70.1; proof 80; uncertainty 88; pilot blocker 82. Deliverable: Calibrated model inputs, Monte Carlo update, and pilot design basis.
TEA, LCA, and site boundary refresh
Score 68.2; proof 78; uncertainty 90; pilot blocker 80. Deliverable: Updated MFSP, CI, uncertainty, and site-comparison package.
Integrated bench-to-pilot release rehearsal
Score 79.6; proof 100; uncertainty 92; pilot blocker 100. Deliverable: Go/no-go release book with unresolved hold points and pilot prerequisites.
Calendar schedule
The simulated sequence respects prerequisites instead of stacking unrelated tests into a false sprint
30-day site feedstock and sludge assay campaign
Days 1-30; duration 30 days. Defines the matrix, contaminants, solids, ash, PFAS, and seasonal variability before reactor claims are trusted.
Baseline HTL phase and element balance
Days 32-49; duration 18 days. Separates oil yield from recoverable product by closing oil, aqueous, char, gas, nitrogen, sulfur, ash, metals, and PFAS ledgers.
Temperature, residence, and solids severity DOE
Days 51-74; duration 24 days. Calibrates the operating window before optimizing around one high-yield run.
Six-cycle aqueous recirculation stress campaign
Days 51-80; duration 30 days. Tests whether recycle improves yield while accumulating salts, nitrogen heterocycles, COD, and toxicity.
Solvent-minimized oil/water/char recovery campaign
Days 51-66; duration 16 days. Prevents solvent-biased yield reporting and defines recoverable product under realistic separation conditions.
PFAS, metals, and hydrochar leachability closure
Days 68-91; duration 24 days. Blocks contaminant-ready claims until target PFAS, total fluorine, metals, and hydrochar leachability have permitted routes.
AD, BMP, and nitrification compatibility panel
Days 82-109; duration 28 days. Checks whether HTL process water can return to a real plant without suppressing digestion or nitrification.
Inorganic, fouling, and corrosion coupon loop
Days 82-107; duration 26 days. Tests chloride, salts, ash, plugging, and coupon evidence before exposing pilot hardware.
Mild hydrotreating and catalyst exposure run
Days 93-114; duration 22 days. Determines whether the recovered biocrude can be stabilized without hiding nitrogen, chlorine, coke, pressure drop, or hydrogen burden.
Kinetic/process model calibration and uncertainty update
Days 116-129; duration 14 days. Updates the process model with measured product splits, heat duty, aqueous burden, upgrading yield, and uncertainty ranges.
TEA, LCA, and site boundary refresh
Days 131-142; duration 12 days. Shows whether measured yields, hydrogen, water, residuals, and credits still support the case after bench data.
Integrated bench-to-pilot release rehearsal
Days 144-153; duration 10 days. Forces every claim into one dossier before managers hear pilot-ready language.
Package ledger
Each package is scored against proof, uncertainty, pilot-blocking value, burden, automation, and cost
Integrated bench-to-pilot release rehearsal
- Score
- 79.6
- Proof
- 100
- Blocker
- 100
- Cost
- 12
30-day site feedstock and sludge assay campaign
- Score
- 73.1
- Proof
- 96
- Blocker
- 94
- Cost
- 24
Baseline HTL phase and element balance
- Score
- 71.8
- Proof
- 92
- Blocker
- 90
- Cost
- 22
PFAS, metals, and hydrochar leachability closure
- Score
- 71
- Proof
- 94
- Blocker
- 98
- Cost
- 30
Kinetic/process model calibration and uncertainty update
- Score
- 70.1
- Proof
- 80
- Blocker
- 82
- Cost
- 16
Inorganic, fouling, and corrosion coupon loop
- Score
- 69.8
- Proof
- 88
- Blocker
- 94
- Cost
- 26
TEA, LCA, and site boundary refresh
- Score
- 68.2
- Proof
- 78
- Blocker
- 80
- Cost
- 14
Mild hydrotreating and catalyst exposure run
- Score
- 67.7
- Proof
- 90
- Blocker
- 92
- Cost
- 34
Six-cycle aqueous recirculation stress campaign
- Score
- 67.4
- Proof
- 86
- Blocker
- 88
- Cost
- 30
Temperature, residence, and solids severity DOE
- Score
- 66.7
- Proof
- 84
- Blocker
- 76
- Cost
- 28
Solvent-minimized oil/water/char recovery campaign
- Score
- 66.7
- Proof
- 84
- Blocker
- 82
- Cost
- 18
AD, BMP, and nitrification compatibility panel
- Score
- 63.1
- Proof
- 82
- Blocker
- 84
- Cost
- 24
Renewable diesel and SAF property stress screen
- Score
- 58.8
- Proof
- 76
- Blocker
- 78
- Cost
- 30
Category ledger
The best package links conversion proof to plant, contaminant, material, and release proof
- Packages
- 1
- Score
- 79.6
- Proof
- 100
- Days
- 10
- Packages
- 1
- Score
- 73.1
- Proof
- 96
- Days
- 30
- Packages
- 1
- Score
- 71.8
- Proof
- 92
- Days
- 18
- Packages
- 1
- Score
- 71
- Proof
- 94
- Days
- 24
- Packages
- 1
- Score
- 70.1
- Proof
- 80
- Days
- 14
- Packages
- 1
- Score
- 69.8
- Proof
- 88
- Days
- 26
- Packages
- 1
- Score
- 68.2
- Proof
- 78
- Days
- 12
- Packages
- 1
- Score
- 67.7
- Proof
- 90
- Days
- 22
- Packages
- 1
- Score
- 67.4
- Proof
- 86
- Days
- 30
- Packages
- 1
- Score
- 66.7
- Proof
- 84
- Days
- 24
- Packages
- 1
- Score
- 66.7
- Proof
- 84
- Days
- 16
- Packages
- 1
- Score
- 63.1
- Proof
- 82
- Days
- 28
- Packages
- 1
- Score
- 58.8
- Proof
- 76
- Days
- 18
Molecular marker ledger
Molecules that keep water, contaminants, upgrading, and release claims measurable
Chloride Cl-
- Priority
- 76.6
- Water
- 82
- Contam.
- 72
- Release
- 94
PFOA C8HF15O2
- Priority
- 76.2
- Water
- 72
- Contam.
- 100
- Release
- 100
PFOS C8HF17O3S
- Priority
- 75.3
- Water
- 72
- Contam.
- 100
- Release
- 100
Pyridine C5H5N
- Priority
- 71.6
- Water
- 82
- Contam.
- 66
- Release
- 86
Ammonia H3N
- Priority
- 67.7
- Water
- 94
- Contam.
- 52
- Release
- 82
Phenol C6H6O
- Priority
- 62.2
- Water
- 76
- Contam.
- 62
- Release
- 72
Orthophosphate O4P-3
- Priority
- 61.5
- Water
- 74
- Contam.
- 58
- Release
- 86
Water H2O
- Priority
- 59.9
- Water
- 96
- Contam.
- 32
- Release
- 70
Acetic acid C2H4O2
- Priority
- 51.4
- Water
- 88
- Contam.
- 38
- Release
- 62
n-Dodecane C12H26
- Priority
- 44.5
- Water
- 10
- Contam.
- 18
- Release
- 92
Hydrogen H2
- Priority
- 42.2
- Water
- 18
- Contam.
- 20
- Release
- 88
Methane CH4
- Priority
- 40.9
- Water
- 68
- Contam.
- 22
- Release
- 76
Highest marker priorities
Chloride, PFAS, nitrogen heterocycles, ammonia, and phosphate define the first release burden
Chloride
corrosion and catalyst-exposure marker. Feed signal 80; conversion signal 42; upgrading signal 92; source IDs campaign-rti-hydrotreating-2022; campaign-pnnl-sot-2022.
PFOA
source-control, PFAS fate, and release-routing sentinel. Feed signal 82; conversion signal 46; upgrading signal 52; source IDs campaign-epa-1633a-2026.
PFOS
persistent sulfonate PFAS marker for source-control and residual routing. Feed signal 84; conversion signal 38; upgrading signal 52; source IDs campaign-epa-1633a-2026.
Pyridine
recalcitrant N-heterocycle and catalyst-poison context marker. Feed signal 30; conversion signal 78; upgrading signal 90; source IDs campaign-watres-2026-review; campaign-rti-hydrotreating-2022.
Ammonia
return-load, nitrification, and nitrogen ledger marker. Feed signal 58; conversion signal 76; upgrading signal 44; source IDs campaign-severity-2019; campaign-apr-2026-sludge.
Phenol
oil-water partition and biological polishing marker. Feed signal 24; conversion signal 76; upgrading signal 62; source IDs campaign-apr-2026-sludge.
Orthophosphate
nutrient recovery and hydrochar routing marker. Feed signal 72; conversion signal 48; upgrading signal 30; source IDs campaign-watres-2026-review.
Water
mass-balance and recycle concentration anchor. Feed signal 92; conversion signal 50; upgrading signal 20; source IDs campaign-apr-2026-sludge.
campaign-epa-sludge-methods-2025
Sewage sludge analytical methods and sampling procedures
EPA sampling and analytical methods page supports matrix-appropriate sludge, inorganic pollutant, and PFAS monitoring choices.
Open sourcecampaign-epa-1633a-2026
CWA analytical methods for PFAS
EPA Method 1633A applies to aqueous, solid, biosolids, and tissue samples and supports PFAS campaign design.
Open sourcecampaign-epa-micro-methods-2026
Approved CWA microbiological methods for wastewater and sewage sludge
EPA microbiological method list keeps fecal coliform and biological release checks inside the validation campaign.
Open sourcecampaign-watres-2026-review
Hydrothermal liquefaction of municipal sludge: biocrude production and fuel quality upgrading
2026 review frames sludge HTL as promising but limited by feed variability, fuel quality, upgrading, byproducts, and pilot integration.
Open sourcecampaign-apr-2026-sludge
Balancing yield and quality: Effects of aqueous phase recirculation in sewage sludge hydrothermal liquefaction
2026 study highlights yield-quality tradeoffs and composition drift during sludge HTL aqueous-phase recirculation.
Open sourcecampaign-aspen-model-2024
A kinetic process model for sewage sludge hydrothermal liquefaction in Aspen Plus
Pilot-validated kinetic process model supports using lab and pilot data to predict product yields and scale-up behavior.
Open sourcecampaign-severity-2019
Fast and isothermal hydrothermal liquefaction of sludge at different severities
Severity study supports time/temperature windows, product partitioning, and nitrogen-transfer checks for early HTL campaigns.
Open sourcecampaign-rti-hydrotreating-2022
Hydrotreatment of solvent-extracted biocrude from HTL of municipal sewage sludge
Hydrotreating work supports solvent/extraction compatibility, chlorine risk, catalyst response, and upgraded-oil assays.
Open sourcecampaign-pnnl-sot-2022
PNNL-32731 wet-waste HTL state-of-technology report
PNNL SOT supports deashing, solids handling, upgrading, TEA, and pilot-operability validation gates.
Open sourcethe plan should not move to pilot until the selected campaign closes feedstock, conversion, water, contaminants, upgrading, materials, and release evidence in sequence. Modeling basis: bench-to-pilot validation sequence for municipal sludge HTL, aqueous recycle, contaminant closure, upgrading, materials, and release review. Selected campaign: 30-day site feedstock and sludge assay campaign; Baseline HTL phase and element balance; Temperature, residence, and solids severity DOE; Six-cycle aqueous recirculation stress campaign; AD, BMP, and nitrification compatibility panel; Solvent-minimized oil/water/char recovery campaign; Inorganic, fouling, and corrosion coupon loop; PFAS, metals, and hydrochar leachability closure; Mild hydrotreating and catalyst exposure run; Kinetic/process model calibration and uncertainty update; TEA, LCA, and site boundary refresh; Integrated bench-to-pilot release rehearsal.