RDKit-parsed climate and inventory marker molecules
Docker-Generated Carbon Intensity Screen
Carbon Intensity Lab
A 3D climate-accounting lab for hydrogen CI, site electricity, heat recovery, WRRF methane/N2O baseline, aqueous treatment, residual credits, and model boundaries.
carbon-intensity controls scored
top individual CI control
external municipal-sludge HTL LCA benchmark carried into the screen
First defensible carbon claim. Requires the high-sensitivity inputs before quoting a g CO2e/MJ number to managers or investors.
Hydrogen carbon-intensity certificate Required fuel-claim input
Hydrotreating hydrogen can decide whether the upgraded fuel looks low-carbon or only shifts emissions upstream.
Hydrogen source, kg H2 per kg oil, electricity or methane input, certification boundary, temporal matching, and allocation method.Site electricity metering and grid factor Required metering
Pumping, heat recovery, separations, aqueous treatment, and hydrotreating auxiliaries all need measured kWh, not generic factors.
Interval meters, grid mix, renewable contract treatment, parasitic loads, and allocation across HTL, upgrading, and treatment.HTL heat recovery and thermal fuel ledger Pilot-critical
Continuous HTL climate performance depends on how much reactor heat is recovered and whether supplemental heat is renewable or fossil.
Heat exchanger duty, fouling drift, offgas combustion, thermal fluid losses, startup fuel, and steady-state recovery fraction.WRRF methane and N2O baseline measurement Required site baseline
Avoided sludge-management credits can dominate results, but methane and N2O baselines are site-specific and high uncertainty.
Baseline sludge route, digester/landfill/land-application emissions, N2O factor, methane slip, flare uptime, and counterfactual.HTL aqueous treatment COD and return-load ledger Required integration gate
The aqueous phase can supply hydrogen/carbon recovery or create aeration, COD, ammonia, and inhibition penalties.
COD, TN, ammonia, toxicity, aeration demand, electrocatalytic H2 balance, return-load N2O risk, and residual treatment.GREET, SimaPro, and ecoinvent reconciliation Executive claim check
A low CI claim should not depend on one model configuration; the result must reconcile GREET-style and SimaPro/ecoinvent boundaries.
Functional unit, allocation, displacement, waste baseline, regional grid, H2 pathway, product slate, and uncertainty bands.The Docker selection model picks Hydrogen carbon-intensity certificate + Site electricity metering and grid factor + HTL heat recovery and thermal fuel ledger + HTL aqueous treatment COD and return-load ledger + WRRF methane and N2O baseline measurement + GREET, SimaPro, and ecoinvent reconciliation as the first CI package. Pyomo-formulated six-control carbon-intensity package with hydrogen, power/heat, baseline, aqueous, model-verification, measurability, uncertainty, capex, and credit-risk gates; solved by deterministic enumeration.
Cantera equilibrium for methane-air combustion is included only as a thermochemistry check; the CI claim still depends on site-specific inventory and measured process data.
Current climate decision
Do not quote a low-carbon fuel result until the same-site CI ledger closes
The generated screen ranks hydrogen carbon intensity first and selects a six-control claim package: hydrogen certification, site electricity, heat recovery, aqueous treatment, WRRF methane/N2O baseline, and GREET/SimaPro reconciliation. Published 2026 results show strong upside, but the local claim still depends on measured site boundaries.
Recomputed against a 95 g CO2e/MJ fossil benchmark: 80% savings.
Requires at least 47.4% modeled savings before a manager-facing low-CI claim is promoted.
Based on 250 kg biocrude per tonne dry sludge and 43 MJ/kg finished-fuel LHV.
First defensible carbon claim
63.9Minimum CI claim gate
Requires the high-sensitivity inputs before quoting a g CO2e/MJ number to managers or investors.
- CI potential
- 81.7
- Uncertainty
- 91
- Measured
- 86
- Credit risk
- 47.3
Hydrotreating emissions focus
61.8Low-carbon hydrogen branch
Tests whether HTL aqueous carbon, electrolysis, or certified low-carbon H2 can support deeper upgrading without losing the CI case.
- CI potential
- 76
- Uncertainty
- 88.7
- Measured
- 86.3
- Credit risk
- 47.7
Marine/diesel/SAF comparison
60.1Refinery product-slate branch
Separates marine fuel, renewable diesel, and SAF because deeper upgrading can increase hydrogen demand and lower liquid yield.
- CI potential
- 75.3
- Uncertainty
- 84
- Measured
- 86.7
- Credit risk
- 43
Optional negative-emissions case
57.2Carbon removal stretch branch
Explores biogenic CO2 capture only after the base-case CI is measured, because capture energy and credit rules can dominate the result.
- CI potential
- 76
- Uncertainty
- 83.3
- Measured
- 84
- Credit risk
- 55.7
Avoided-burden focus
54.4WRRF displacement credit branch
Checks whether avoided sludge management and nutrient credits are real enough to carry the LCA instead of becoming fragile assumptions.
- CI potential
- 60.3
- Uncertainty
- 79.3
- Measured
- 83.3
- Credit risk
- 57.7
Generated CI package
Pyomo-gated six-control carbon-intensity package
Hydrogen carbon-intensity certificate
Hydrogen source, kg H2 per kg oil, electricity or methane input, certification boundary, temporal matching, and allocation method.
Site electricity metering and grid factor
Interval meters, grid mix, renewable contract treatment, parasitic loads, and allocation across HTL, upgrading, and treatment.
HTL heat recovery and thermal fuel ledger
Heat exchanger duty, fouling drift, offgas combustion, thermal fluid losses, startup fuel, and steady-state recovery fraction.
HTL aqueous treatment COD and return-load ledger
COD, TN, ammonia, toxicity, aeration demand, electrocatalytic H2 balance, return-load N2O risk, and residual treatment.
WRRF methane and N2O baseline measurement
Baseline sludge route, digester/landfill/land-application emissions, N2O factor, methane slip, flare uptime, and counterfactual.
GREET, SimaPro, and ecoinvent reconciliation
Functional unit, allocation, displacement, waste baseline, regional grid, H2 pathway, product slate, and uncertainty bands.
Climate markers
Which molecules and inventory species move the carbon-intensity result
Dodecane C12H26
- Attention
- 100
- GWP100
- 0
- C atoms
- 12
- N atoms
- 0
Nitrous oxide N2O
- Attention
- 89.1
- GWP100
- 273
- C atoms
- 0
- N atoms
- 2
Phenol C6H6O
- Attention
- 57
- GWP100
- 0
- C atoms
- 6
- N atoms
- 0
Acetic acid C2H4O2
- Attention
- 24
- GWP100
- 0
- C atoms
- 2
- N atoms
- 0
Carbon dioxide CO2
- Attention
- 15.2
- GWP100
- 1
- C atoms
- 1
- N atoms
- 0
Methane CH4
- Attention
- 15
- GWP100
- 27.2
- C atoms
- 1
- N atoms
- 0
Ammonia H3N
- Attention
- 13
- GWP100
- 0
- C atoms
- 0
- N atoms
- 1
Phosphoric acid H3O4P
- Attention
- 12
- GWP100
- 0
- C atoms
- 0
- N atoms
- 0
Hydrogen sulfide H2S
- Attention
- 8
- GWP100
- 0
- C atoms
- 0
- N atoms
- 0
Oxygen O2
- Attention
- 6
- GWP100
- 0
- C atoms
- 0
- N atoms
- 0
Water H2O
- Attention
- 3
- GWP100
- 0
- C atoms
- 0
- N atoms
- 0
Hydrogen H2
- Attention
- 0
- GWP100
- 0
- C atoms
- 0
- N atoms
- 0
Control ledger
Every low-carbon claim needs measured site data, model boundaries, and uncertainty bands
Hydrogen boundary68.7
Hydrogen carbon-intensity certificate
Hydrotreating hydrogen can decide whether the upgraded fuel looks low-carbon or only shifts emissions upstream.
- CI
- 94
- Measured
- 90
- Uncertainty
- 92
- Credit risk
- 36
Power boundary66.4
Site electricity metering and grid factor
Pumping, heat recovery, separations, aqueous treatment, and hydrotreating auxiliaries all need measured kWh, not generic factors.
- CI
- 76
- Measured
- 96
- Uncertainty
- 90
- Credit risk
- 32
Thermal integration63.3
HTL heat recovery and thermal fuel ledger
Continuous HTL climate performance depends on how much reactor heat is recovered and whether supplemental heat is renewable or fossil.
- CI
- 88
- Measured
- 88
- Uncertainty
- 86
- Credit risk
- 28
Aqueous boundary62.3
HTL aqueous treatment COD and return-load ledger
The aqueous phase can supply hydrogen/carbon recovery or create aeration, COD, ammonia, and inhibition penalties.
- CI
- 82
- Measured
- 82
- Uncertainty
- 88
- Credit risk
- 42
Avoided baseline61.9
WRRF methane and N2O baseline measurement
Avoided sludge-management credits can dominate results, but methane and N2O baselines are site-specific and high uncertainty.
- CI
- 92
- Measured
- 74
- Uncertainty
- 94
- Credit risk
- 76
Model verification60.8
GREET, SimaPro, and ecoinvent reconciliation
A low CI claim should not depend on one model configuration; the result must reconcile GREET-style and SimaPro/ecoinvent boundaries.
- CI
- 58
- Measured
- 86
- Uncertainty
- 96
- Credit risk
- 70
Carbon accounting58.7
Biogenic and fossil carbon split
Biogenic CO2 assumptions need a defensible boundary, especially if fossil-derived contaminants, plastics, or external hydrogen enter.
- CI
- 70
- Measured
- 84
- Uncertainty
- 88
- Credit risk
- 64
Fuel slate57
Marine, renewable diesel, and SAF product-slate boundary
Marine fuel, renewable diesel, and SAF carry different hydrogen, fractionation, hydrocracking, HDN, and yield penalties.
- CI
- 72
- Measured
- 84
- Uncertainty
- 84
- Credit risk
- 54
Air emissions55.8
Offgas combustion and methane-slip control
Small methane slip or unmetered offgas can erase climate gains because methane has high short- and long-term warming impact.
- CI
- 74
- Measured
- 80
- Uncertainty
- 82
- Credit risk
- 52
Logistics50.4
Sludge, biocrude, hydrogen, and product logistics boundary
Centralized upgrading can be attractive, but hauling wet sludge, biocrude, hydrogen, or product changes both cost and CI.
- CI
- 46
- Measured
- 92
- Uncertainty
- 66
- Credit risk
- 34
Co-product credit47.5
Residual phosphorus and fertilizer displacement protocol
Phosphorus recovery can improve the climate and circularity case, but credits must survive contaminant and market constraints.
- CI
- 62
- Measured
- 76
- Uncertainty
- 70
- Credit risk
- 72
Water boundary47.4
Water consumption and effluent-quality ledger
Water use is not the same as CI, but water treatment energy, effluent quality, and return loads affect the overall environmental claim.
- CI
- 34
- Measured
- 88
- Uncertainty
- 62
- Credit risk
- 30
Carbon removal branch38.1
Biogenic CO2 capture branch
Capturing biogenic CO2 could create negative-emissions upside, but it should not be used to rescue an unproven base case.
- CI
- 90
- Measured
- 70
- Uncertainty
- 58
- Credit risk
- 88
ci-rsc-wet-waste-2026
Wet-waste HTL TEA/LCA with upgrading strategies
2026 wet-waste HTL source comparing sludge, manure, and food waste across marine, renewable diesel, and SAF upgrading with GREET-style fuel assumptions and biogenic CO2 handling.
Open sourceci-energy-mss-2026
Municipal sewage sludge HTL TEA/LCA
2026 Energy paper reporting continuous-mode municipal sewage-sludge HTL with upgraded biofuel carbon footprint of 19 g CO2e/MJ and 80% GHG savings versus fossil fuels.
Open sourceci-uncertainty-pnnl-2023
Uncertainty analysis for wet-waste HTL TEA/LCA
PNNL uncertainty source for wet-waste HTL supply-chain economics and environmental measures.
Open sourceci-pnnl-sot-2022
Wet Waste HTL and Biocrude Upgrading to Hydrocarbon Fuels: 2022 SOT
PNNL SOT report with conversion life-cycle inventory, energy/carbon efficiency, hydrogen upgrading, and wet-waste process data.
Open sourceci-pnnl-electrooxidation-2025
Electrocatalytic oxidation of HTL aqueous phase for treatment and H2
PNNL source indicating HTL aqueous COD can potentially produce H2 for hydrotreating while treating the aqueous phase.
Open sourceci-rsc-wwtp-2024
HTL integrated with wastewater treatment plants
RSC source comparing co-located WWTP HTL scenarios, process configurations, TEA, and LCA choices.
Open sourceci-energy-fuels-tea-2023
Liquid biofuels from sewage sludge via HTL TEA
Sewage-sludge HTL TEA source with heat demand, gas co-combustion, centralized upgrading, and process economics context.
Open sourceci-rser-review-2025
Sewage sludge HTL review of biocrude and byproducts
2025 review covering byproduct phases, phosphorus/metals partitioning, and circular resource-recovery context.
Open sourceci-nrel-lci-2023
Comparing life-cycle emissions of biofuel pathways
Life-cycle inventory source for comparing biofuel pathways, aqueous waste treatment boundaries, and sludge/manure upgraded fuel cases.
Open sourcecarbon intensity is not claim-ready until hydrogen, electricity, heat recovery, methane/N2O baseline, aqueous treatment, residual credits, and model boundaries are measured for the same site