Overview
- Technology
- Direct fluorination of ammonia with elemental fluorine
- Geography
- Global
System boundary
The figure groups this dataset's unit processes by class. It is not a count of manufacturing steps — each process runs over as many passes as the flow requires, and those pass counts ship with the dataset.
Data quality and references
Pedigree scores follow the ecoinvent data-quality matrix: 1 is the best attainable, 5 the weakest. The composite is their aggregate.
- Sampling procedure
- Industrial-chemistry reference works and gas-supplier product literature for the direct-fluorination route and purity specification, a published life cycle study of photovoltaic fluorinated-gas emissions for energy context, government emission factors for fugitive releases, industrial wastewater-treatment literature for fluoride removal, and stoichiometric route calculation
- Coverage status
- Partial
- Pedigree-scored source files
- Not stated
- Dataset sources
-
- Stoichiometric calculation
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Industrial wastewater treatment literature
Technosphere inputs
7 flows. Quantities are not published; they ship with the dataset on Circa.
Ammonia (anhydrous) Materialkg · -4.8% / +9.5%
- Derivation basis
-
- The model specifies this input from the production route, either from the chemistry of the reaction or from the allowance the route sets for it. It also states the excess the route uses and the share it recovers for reuse.
The sources for this row are listed below.
- Source citations (dataset-level)
-
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- ecoinvent 3.12
- Background dataset
- ammonia, anhydrous, liquid
- Notes
- Ammonia available in ecoinvent
- Uncertainty
- -4.8% / +9.5% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- kg
Elemental fluorine Materialkg · -6.8% / +10.2%
- Derivation basis
-
- Quantity from the formulation/production-route recipe; upstream life cycle provenance is carried by the linked upstream unit process (see the technosphere reference)
The sources for this row are listed below.
- Source citations (dataset-level)
-
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Upstream REEL dataset
- Fluorine (F2)
- Background dataset
- Modelled by REEL; see the upstream dataset above.
- Notes
- F2 from HF electrolysis - see upstream file
- Uncertainty
- -6.8% / +10.2% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- kg
Hydrated lime (wastewater treatment) Materialkg · -59.8% / +202.3%
- Derivation basis
-
- The model specifies this input from the production route, either from the chemistry of the reaction or from the allowance the route sets for it. It also states the excess the route uses and the share it recovers for reuse.
The sources for this row are listed below.
- Source citations (dataset-level)
-
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- proxy-mapped
- Background dataset
- calcium carbonate, precipitated
- Notes
- Precipitant for the fluoride captured in the off-gas scrubber. It supplies the calcium in the calcium fluoride sludge this dataset ships.
- Uncertainty
- -59.8% / +202.3% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- kg
Electricity, NF3 synthesis, Global (GLO) ElectricitykWh · -40% / +60%
- Derivation basis
-
- Industry estimate
No source is attached to this row.
- Source citations
- Not stated
- Background data
- ecoinvent 3.12
- Background dataset
- electricity, medium voltage
- Notes
- Reaction heating, gas handling
- Uncertainty
- -40% / +60% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- kWh
Electricity, purification, Global (GLO) ElectricitykWh · -50% / +100%
- Derivation basis
-
- Energy demand specified by the model.
No source is attached to this row.
- Source citations
- Not stated
- Background data
- ecoinvent 3.12
- Background dataset
- electricity, medium voltage
- Notes
- Distillation to remove N2F4, N2F2 impurities
- Uncertainty
- -50% / +100% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- kWh
Natural gas heat (reactor heating) ThermalMJ · -40% / +60%
- Derivation basis
-
- The model specifies this input from the production route, either from the chemistry of the reaction or from the allowance the route sets for it. It also states the excess the route uses and the share it recovers for reuse.
No source is attached to this row.
- Source citations
- Not stated
- Background data
- ecoinvent 3.12
- Background dataset
- heat production, natural gas, at industrial furnace low-NOx >100kW
- Notes
- Backup heating for reactor temperature control. โ the linked activity is a natural-gas industrial furnace, so its burden covers burning the fuel as well as supplying it. The quantity is the heat the furnace delivers, obtained from the fuel demand through the fuel's lower heating value and the furnace's fuel-per-heat ratio. The air emissions in this dataset are fugitive releases only and carry no combustion products, so nothing is counted twice.
- Uncertainty
- -40% / +60% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- MJ
Fresh water WaterL · -25% / +50%
- Derivation basis
-
- Water demand specified by the model.
No source is attached to this row.
- Source citations
- Not stated
- Background data
- ecoinvent 3.12
- Background dataset
- tap water
- Uncertainty
- -25% / +50% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- L
Outputs and waste
Wastewater to treatment WastewaterL · -33.3% / +55.6%
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- carried, no background dataset
- Background dataset
- wastewater, average
- Uncertainty
- -33.3% / +55.6% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- L
Calcium fluoride sludge Solid wasteg · -59.8% / +201.1%
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- ecoinvent 3.12 treatment route
- Background dataset
- treatment of inert waste, sanitary landfill
- Notes
- From lime precipitation of the fluoride wastewater; the calcium comes from the hydrated-lime input row.
- Uncertainty
- -59.8% / +201.1% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- g
Off-spec product (N2F4, N2F2) Solid wasteg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- ecoinvent 3.12 treatment route
- Background dataset
- treatment of hazardous waste, underground deposit
- Notes
- Selectivity byproducts: inorganic nitrogen fluorides, classed and routed as a hazardous inorganic residue.
- Uncertainty
- No range defined.
- Unit
- g
Reactor off-gas and scrubber residues to abatement Solid wasteg · -40.2% / +49.5%
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Background data
- ecoinvent 3.12 treatment route
- Background dataset
- treatment of hazardous waste, underground deposit
- Notes
- Unreacted ammonia and fluorine plus scrubber salts, collected and sent to thermal abatement. The amount is the residue the gate balance on this route leaves once the product, the co-product, the other waste streams and the reported releases are accounted for; it is not a measured stream. The split between species is not resolved, and neither is the fate of the water formed when the treatment lime neutralises the captured acid.
- Uncertainty
- -40.2% / +49.5% around the published quantity. The bounds themselves ship with the dataset on Circa.
- Unit
- g
Emissions to air
4 elementary flows released to air by this dataset's own operations. Quantities are not published; they ship with the dataset on Circa.
Hydrogen fluoride Emission to airg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
No source is attached to this row.
- Source citations
- Not stated
- Compartment
- Air (non-urban air or from high stacks)
- Formula
- HF
- CAS number
- 7664-39-3
- ecoinvent 3.12 elementary flow
- Hydrogen fluoride
- Notes
- Fugitive from reactor and handling; most captured in scrubber
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Ammonia Emission to airg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
No source is attached to this row.
- Source citations
- Not stated
- Compartment
- Air (non-urban air or from high stacks)
- Formula
- NH3
- CAS number
- 7664-41-7
- ecoinvent 3.12 elementary flow
- Ammonia
- Notes
- Unreacted NH3 not captured by scrubber
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Nitrogen trifluoride Emission to airg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
No source is attached to this row.
- Source citations
- Not stated
- Compartment
- Air (non-urban air or from high stacks)
- Formula
- NF3
- CAS number
- 7783-54-2
- ecoinvent 3.12 elementary flow
- Nitrogen fluoride
- Notes
- Minor fugitive losses; very low due to product value
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Dinitrogen tetrafluoride Emission to airg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
- No corresponding ecoinvent dataset or flow was identified for this entry, so it is published with its own quantity and no background link
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Compartment
- Air (non-urban air or from high stacks)
- Formula
- N2F4
- CAS number
- 10036-47-2
- ecoinvent 3.12 elementary flow
- Not stated
- Notes
- Byproduct of the reactor. The off-gas passes through a thermal oxidizer, and the sources behind this dataset do not fix where in that chain the quantity reported here was measured. The treatment position is unresolved: this row states neither that the amount escaped the abatement nor that it entered it.
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Emissions to water
3 elementary flows released to water by this dataset's own operations. Quantities are not published; they ship with the dataset on Circa.
Fluoride ion Emission to waterg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Compartment
- Water (surface water)
- Formula
- F-
- CAS number
- 16984-48-8
- ecoinvent 3.12 elementary flow
- Fluoride
- Notes
- Dissolved fluoride remaining after lime precipitation. The bulk of the captured fluoride leaves as the calcium fluoride sludge instead.
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Ammonium ion Emission to waterg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Compartment
- Water (surface water)
- Formula
- NH4+
- CAS number
- 14798-03-9
- ecoinvent 3.12 elementary flow
- Ammonium
- Notes
- From scrubber; may require biological treatment
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Nitrate Emission to waterg
- Derivation basis
-
- The model estimates this flow from the mass balance of the operation and from the share of material the operation loses.
The sources below are this dataset's own bibliography. They are not tied to this row.
- Source citations (dataset-level)
- Inherited from this dataset's own bibliography, not tied to this row:
- Kirk-Othmer Encyclopedia - Fluorine Compounds, Inorganic
- Air Products NF3 product literature
- Fthenakis et al., Emissions from Photovoltaic Life Cycles
- EPA AP-42 emission factors
- Compartment
- Water (surface water)
- Formula
- NO3-
- CAS number
- 14797-55-8
- ecoinvent 3.12 elementary flow
- Nitrate
- Notes
- From ammonia oxidation in treatment
- Uncertainty
- A minimum-maximum range is defined for this flow. Bounds ship with the dataset on Circa.
- Unit
- g
Flows not quantified
No flows are recorded for this dataset without a quantity.
Limitations and unquantified flows (1)
Limits this dataset declares about itself: first any limit stated in its own description, then any limit it declares flow by flow, grouped by channel. Each entry below is the model's own disclosure.
- The reactor off-gas and scrubber-residue row is not broken down by substance. It carries the declared excess of ammonia and fluorine that the product, the ammonium fluoride co-product and the measured emissions do not account for; no public source splits it into named species, so it ships as one abated stream.
The flows above are this dataset's own records. What follows are the scope rules set once for the whole database in the methodology report, repeated here so every dataset page carries them.
Boundary declared by this dataset
Gate-to-gate NF3 synthesis; the fluorine feed carries its own production burden through the linked fluorine dataset, so it is not charged again here
Database-wide boundary policy — applies to every REEL dataset
These boundaries are set once for the whole database, in Chapter 2 of the methodology report, and apply to this dataset wherever they are relevant to it. The excluded flows listed above are specific to this dataset.
- Use phase
- Product operation is outside the cradle-to-gate scope.
- End-of-life treatment
- Recycling and disposal are outside the cradle-to-gate scope.
- Distribution and retail
- The gate is a finished component ready for integration into a higher-level assembly.
- Inbound transport of raw materials
- Transport of purchased raw materials to the manufacturing facility is already inside the upstream "market for" datasets that users link to a background database, so it is not modelled a second time here. This does not cover freight between REEL production stages, which is modelled where a dataset authors it.
- Returnable shipping containers
- Where freight between production stages is modelled, the mass moved is the product itself. The shipping container (FOSB, SEMI M31) is returnable capital equipment whose per-trip share is unsourced, so its tare is excluded from the transport effort.
- Photomask fabrication
- A mask set's embodied burden is amortised across a high-volume production run and is not attributed per wafer. Users assessing low-volume production should add mask fabrication separately; the methodology report gives the basis for the exclusion.
- Employee transport, administration and R&D overhead
- Employee transportation, facility administration and R&D/pilot-production overhead are outside scope.
- Capital goods
- Manufacturing equipment, cleanroom construction and facility infrastructure are excluded, on the grounds of absent public data on equipment embodied energy, uncertainty in equipment lifetime and allocation, common practice in electronics LCA, and a focus on the operational inventory. Future versions may include capital goods when sufficient public data becomes available.
- Precious metal recovery credits
- Scrap recovery credits for precious metals are excluded pending data availability.
- Wafer reclaim
- Test wafers and scrap are outside the system boundary.
Inside the boundary, linked rather than modelled
- Silicon ingot growth and wafer slicing
- Inside the cradle-to-gate scope, but treated as upstream material inputs linked to background databases rather than modelled as REEL processes.
- Freight between production stages
- Where a dataset's product moves between REEL production stages - wafer fabrication to the packaging site, for example - that leg is authored as a transport service and linked to an ecoinvent freight activity. It is measured as a transport effort in tonne-kilometres, not as a mass. Route distances are authored per route class with a stated band; a lower bound of zero is a modelling statement that the two sites can be co-located, not a missing value.
Cut-off criteria
A flow is excluded from a process inventory when it contributes less than 1 % of the total mass of inputs to that unit process, or less than 1 % of its total energy input. The denominator is total process inputs, not product mass. That distinction matters in semiconductor manufacturing, where the input mass of water, chemicals and gases greatly exceeds the product mass, so the threshold removes only genuinely minor flows.
Included regardless of the cut-off
- Perfluorocarbons (CF4, C2F6, SF6, NF3) - high GWP, EPA regulated
- Heavy metals (Pb, Cd, Hg, Cr(VI)) - RoHS regulated, high toxicity
- Volatile organics (photoresist solvents, PGMEA) - air quality
- Precious metals (Au, Ag, Pd, Pt) - high embodied impacts
- Ozone-depleting substances (legacy CFCs, HCFCs) - Montreal Protocol
Not stated