UniversaBio Fuel

Docker-Generated Feedstock Speciation

Feedstock Speciation Lab

A 3D intake workspace for deciding which sludge windows can support sewage-to-fuel testing, which need blending, and which should be held for PFAS, metals, ash, nitrogen, or storage-age proof.

20

RDKit-checked feedstock molecules, nutrients, ash markers, salts, PFAS sentinels, and industrial organics

10

sludge intake archetypes ranked across oil precursor, nitrogen, ash, contaminants, and readiness

FOG-rich primary blend

top current yield-upside archetype by Docker-generated score

37.5%

average predicted biocrude yield across the selected intake stress panel

Interactive Feedstock Speciation

Separate oil precursor, nitrogen, ash, and contaminant risk before the reactor sees sludge

Intake score168.1
Lipid fraction42%
Ash fraction14%
Contaminant risk24.4
high oil precursor

FOG-rich primary blend

controlled fats-oils-grease enrichment case for yield uplift without hiding aqueous or separator burden

Biocrude yield
52.6%
Protein
18%
N risk
38
Validation need
45.2

Pyomo-formulated feedstock intake selector with deterministic enumeration across baseline, lipid, protein, ash, and contaminant coverage constraints. Current panel covers 5 feed classes and 19 molecular markers.

Archetype markers

Triolein; Oleic acid; Palmitic acid; Lactic acid; Sodium chloride

These markers decide whether a sludge week should be accepted, blended, source-controlled, or held before HTL screening.

Top marker
PFOS
Source IDs
speciation-pnnl-site-specific-2024; speciation-cohtl-food-waste-2026

The highest-yield intake is lipid-led, but the selected panel deliberately includes high-protein, high-ash, and PFAS/metals stress cases so the bench program does not validate only the easiest sludge.

A source-controlled, low-contaminant campaign is the preferred pilot feed, while industrial-influenced weeks need source-control and fate testing before fuel or residual claims are promoted.

Current intake decision

Do not average sludge before it is chemically typed

Recent sources make the intake problem sharper: lipid-rich primary or FOG-blended sludge can improve yield, protein-rich secondary sludge raises nitrogen and hydrotreating load, high-ash digested solids dilute organic yield, and industrial weeks can move PFAS, salts, metals, and toxic organics into every product stream. The first pilot feed should be source-controlled and low-contaminant, but the bench program must still test the ugly weeks.

Top score168.1

FOG-rich primary blend is the highest-upside intake case because the lipid signal can lift biocrude yield.

Portfolio score529.9

The selected intake panel covers baseline, lipid-rich, protein-rich, high-ash, and contaminant stress cases.

Max contaminant risk84.4

The worst-case industrial week is a hold-and-source-control case, not a feed to average into pilot results.

Selected intake panel

Five sludge windows to test before trusting one site average

high oil precursor

FOG-rich primary blend

Score 168.1; yield 52.6%; lipid 42%; protein 18%; ash 14%; contaminant risk 24.4. Must prove: metered FOG addition, emulsion/phase split, pumpability, odor control, and net oil-yield gain.

representative baseline

Mixed primary + WAS baseline

Score 115.2; yield 39.5%; lipid 22%; protein 30%; ash 27%; contaminant risk 36.7. Must prove: 30-day composite intake with TS/VS/ash, CHNSO, lipids, proteins, carbohydrates, ICP metals, and EPA 1633 PFAS.

protein nitrogen

Waste activated sludge protein-rich window

Score 80.2; yield 34.2%; lipid 14%; protein 42%; ash 25%; contaminant risk 40.3. Must prove: protein/N speciation, oil N, aqueous ammonia, hydrochar phosphorus, and hydrotreating severity test.

ash and phosphorus

Alum or struvite high-phosphorus sludge

Score 52.8; yield 28.4%; lipid 13%; protein 25%; ash 46%; contaminant risk 51.9. Must prove: phosphorus speciation, scaling risk, hydrochar nutrient value, metals leaching, and ash-normalized oil yield.

contaminant stop gate

Industrial-influenced PFAS and metals week

Score 45.1; yield 32.8%; lipid 18%; protein 28%; ash 32%; contaminant risk 84.4. Must prove: source-control investigation, EPA 1633, suspect screening, metals, oil/char/aqueous PFAS fate, and hold/reject rule.

Archetype ledger

Every sludge window moves a different part of the fuel claim

high oil precursor

FOG-rich primary blend

Score
168.1
Yield
52.6%
Ash
14%
Contaminant
24.4
high oil precursor

Primary sludge lipid-rich window

Score
143.8
Yield
45.8%
Ash
22%
Contaminant
28.3
co-feed dilution

Food-waste co-HTL dilution blend

Score
141.3
Yield
47.2%
Ash
12%
Contaminant
21.7
preferred pilot feed

Source-controlled low-contaminant campaign

Score
133.9
Yield
42.4%
Ash
24%
Contaminant
19.8
representative baseline

Mixed primary + WAS baseline

Score
115.2
Yield
39.5%
Ash
27%
Contaminant
36.7
blend rescue

Digested biosolids plus FOG reblend

Score
89.3
Yield
38.6%
Ash
34%
Contaminant
57.7
protein nitrogen

Waste activated sludge protein-rich window

Score
80.2
Yield
34.2%
Ash
25%
Contaminant
40.3
ash and phosphorus

Alum or struvite high-phosphorus sludge

Score
52.8
Yield
28.4%
Ash
46%
Contaminant
51.9
ash drag

Anaerobically digested high-ash biosolids

Score
46.2
Yield
26.4%
Ash
43%
Contaminant
54.8
contaminant stop gate

Industrial-influenced PFAS and metals week

Score
45.1
Yield
32.8%
Ash
32%
Contaminant
84.4

Class ledger

Sludge classes separate yield upside from validation burden

high oil precursor
Cases
2
Score
155.9
Lipid
37%
Validation
44.7
co-feed dilution
Cases
1
Score
141.3
Lipid
25%
Validation
48.2
preferred pilot feed
Cases
1
Score
133.9
Lipid
24%
Validation
44
representative baseline
Cases
1
Score
115.2
Lipid
22%
Validation
50
blend rescue
Cases
1
Score
89.3
Lipid
30%
Validation
69.3
protein nitrogen
Cases
1
Score
80.2
Lipid
14%
Validation
62.6
ash and phosphorus
Cases
1
Score
52.8
Lipid
13%
Validation
64
ash drag
Cases
1
Score
46.2
Lipid
9%
Validation
66.2
contaminant stop gate
Cases
1
Score
45.1
Lipid
18%
Validation
87.7

Molecular marker ledger

Molecules that explain why the same reactor can produce different results

PFAS sentinel

PFOS C8HF17O3S

Priority
62.9
Oil
0
N
0
Contam.
100
PFAS sentinel

PFOA C8HF15O2

Priority
61.7
Oil
0
N
0
Contam.
100
metal coagulant

Iron(III) ion Fe+3

Priority
55.2
Oil
0
N
0
Contam.
58
N-heterocycle

Pyridine C5H5N

Priority
53.8
Oil
18
N
86
Contam.
40
N-heterocycle

Indole C8H7N

Priority
52.6
Oil
22
N
82
Contam.
36
industrial organic

Bisphenol A C15H16O2

Priority
49
Oil
28
N
0
Contam.
76
salt

Sodium chloride ClNa

Priority
48.5
Oil
0
N
0
Contam.
44
microplastic fragment

Styrene C8H8

Priority
48.1
Oil
54
N
0
Contam.
58
ash mineral

Calcium carbonate CCaO3

Priority
47.3
Oil
0
N
0
Contam.
20
protein nitrogen

Lysine C6H14N2O2

Priority
46.9
Oil
30
N
92
Contam.
0
protein nitrogen

Glycine C2H5NO2

Priority
44
Oil
34
N
76
Contam.
0
aqueous nitrogen

Ammonia H3N

Priority
43.6
Oil
0
N
88
Contam.
12
phosphorus nutrient

Phosphoric acid H3O4P

Priority
43.6
Oil
0
N
0
Contam.
18
lipid precursor

Oleic acid C18H34O2

Priority
42.6
Oil
92
N
0
Contam.
0
neutral lipid

Triolein C57H104O6

Priority
41.6
Oil
96
N
0
Contam.
0
lipid precursor

Palmitic acid C16H32O2

Priority
41
Oil
88
N
0
Contam.
0
grit and ash

Silica O2Si

Priority
39.5
Oil
0
N
0
Contam.
10
aqueous carbon

Acetic acid C2H4O2

Priority
28.9
Oil
10
N
0
Contam.
10
carbohydrate

Glucose C6H12O6

Priority
27.7
Oil
22
N
0
Contam.
0
fermentation acid

Lactic acid C3H6O3

Priority
25.4
Oil
18
N
0
Contam.
0

Top marker priorities

PFAS, metals, and nitrogen markers carry the largest stop-gate value

PFAS sentinel

PFOS

sulfonated PFAS sentinel for biosolids risk and high-temperature fate testing. Assay signal 96; oil contribution 0; nitrogen signal 0; contaminant signal 100.

PFAS sentinel

PFOA

biosolids PFAS sentinel requiring source-control and fate testing before product claims. Assay signal 96; oil contribution 0; nitrogen signal 0; contaminant signal 100.

metal coagulant

Iron(III) ion

coagulant and metal-loading proxy for ash, catalyst poison, and residual routing. Assay signal 88; oil contribution 0; nitrogen signal 0; contaminant signal 58.

N-heterocycle

Pyridine

protein-derived nitrogen marker that survives into oil and aqueous streams. Assay signal 84; oil contribution 18; nitrogen signal 86; contaminant signal 40.

N-heterocycle

Indole

aromatic nitrogen marker for protein-rich sludge and hydrotreating severity. Assay signal 82; oil contribution 22; nitrogen signal 82; contaminant signal 36.

industrial organic

Bisphenol A

industrial-organic sentinel for non-routine influent and oil/water toxicity tracking. Assay signal 80; oil contribution 28; nitrogen signal 0; contaminant signal 76.

salt

Sodium chloride

salt and corrosion proxy for industrial or dewatering-chemical influence. Assay signal 82; oil contribution 0; nitrogen signal 0; contaminant signal 44.

microplastic fragment

Styrene

plastic-fragment proxy for mixed municipal solids and product-forensics watch lists. Assay signal 70; oil contribution 54; nitrogen signal 0; contaminant signal 58.

Assay package

The best check is a linked feed-to-products closure, not a single yield test

98

TS/VS/ash and dewaterability

separate organic yield potential from moisture and mineral dilution

Method
gravimetric TS, VS, fixed solids, capillary suction or cake solids
Decision use
reject feed windows that look good by wet mass but fail dry-ash-free yield
94

Lipid/protein/carbohydrate fractionation

predict whether oil yield is lipid-led, protein/N-led, or aqueous/char-heavy

Method
lipid extraction, protein nitrogen proxy, carbohydrate assay, CHNSO reconciliation
Decision use
pick representative primary/WAS/co-feed archetypes instead of averaging them away
92

CHNSO feed and product closure

close nitrogen, sulfur, oxygen, and carbon burdens across feed, oil, aqueous, char, and gas

Method
elemental analysis plus ash-normalized mass balance
Decision use
prevent high-N biocrude from being mistaken for usable fuel
90

ICP metals and phosphorus

track ash, catalyst poisons, scale formers, and hydrochar reuse or disposal limits

Method
ICP-MS/OES plus phosphorus speciation and leach testing
Decision use
route high-secondary, alum, struvite, or digested solids before pilot claims
96

EPA 1633 PFAS and precursor screen

detect PFOA/PFOS and broader PFAS before HTL, after HTL, and in residuals

Method
EPA Method 1633 plus suspect screening when industrial inputs change
Decision use
hold, segregate, or source-control contaminated intake weeks
82

Storage-age VFA and ammonia

catch fermentation, protein breakdown, and biological return-load changes before HTL

Method
VFA panel, TAN/ammonia, pH, alkalinity, conductivity
Decision use
set maximum hold time and blending rules for sludge cake or slurry
88

Biocrude and aqueous fingerprint

verify that intake differences map to oil, aqueous, char, and gas outcomes

Method
GCxGC/GC-MS, LC-HRMS, NMR, COD/TOC, SimDist, CHNSO
Decision use
link feedstock speciation to finished-fuel validation gates
speciation-cej-composition-2025

Effects of municipal sludge composition on HTL products and AD energy recovery

Open 2025 CEJ source showing sludge composition affects HTL product yields, lipids contribute more to biocrude than proteins and carbohydrates, and secondary sludge can shift metals/phosphorus to hydrochar.

Open source
speciation-water-research-2026

Hydrothermal liquefaction of municipal sludge: biocrude production and fuel-quality upgrading

Recent Water Research review source framing primary, waste-activated, secondary, and digested sludge as HTL feedstocks with water, oxygen, nitrogen, and ash limitations.

Open source
speciation-pnnl-site-specific-2024

Site-specific design case study for wet-waste HTL and upgrading

PNNL 2024 report source for site-specific feedstock availability, WRRF siting, and broad wet-feedstock scope including sewage sludge, food/agriculture wastes, algae, FOG, and blends.

Open source
speciation-pnnl-uncertainty-2021

Techno-economic uncertainty analysis of wet-waste-to-biocrude via HTL

PNNL source identifying feed moisture, feedstock composition, and HTL yield model uncertainty as major economic uncertainty drivers.

Open source
speciation-acs-iecr-2024

Characterization of biocrude from HTL of municipal sewage sludge in a 500 mL reactor

Open ACS IECR source reporting sewage-sludge HTL phase yields, biocrude chemistry, energy recovery, and inorganic partitioning to solids.

Open source
speciation-cohtl-food-waste-2026

Effect of severity and mixing ratio of sewage sludge and food waste on co-HTL biocrude yield

2026 co-HTL source for food-waste mixing ratio, severity factor, solids content, and product-quality/yield interactions.

Open source
speciation-epa-pfas-2025

EPA draft risk assessment for PFOA and PFOS in biosolids

EPA 2025 source documenting biosolids PFAS risk context for PFOA/PFOS and disposal/use pathways.

Open source
speciation-itrc-pfas-2026

ITRC PFAS technical guidance and biosolids fact sheets

ITRC PFAS guidance source for PFAS physical/chemical properties, biosolids context, and updated 2026 technical material.

Open source
speciation-wrf-pfas-2025

WRF project on HTL aqueous integration and PFAS fate

Water Research Foundation project source for HTL aqueous integration into WRRF digestion processes and PFAS fate assessment.

Open source
speciation-pnnl-aqueous-2017

Quantitative characterization of aqueous byproducts from HTL of municipal wastes

PNNL analytical source identifying organic acids, nitrogen compounds, alcohols, aldehydes, ketones, and inorganic species in HTL aqueous fractions.

Open source

feedstock speciation is an intake gate, not proof of fuel, until representative samples close solids, ash, CHNSO, metals, PFAS, macromolecule, and product-yield balances