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Overview

General comment

Not stated

Technology
Direct fluorination of ammonia with elemental fluorine
Geography
Global

System boundary

System boundary - Nitrogen trifluoride (NF3)System boundary figure: identity, gate in, entering flows, the dashed system boundary and the unit processes inside it, the reference product, emissions and waste, and below it the flows that are recorded but not quantified. No inventory quantities.Nitrogen trifluoride (NF3)DECLARED BOUNDARYGate-to-gate NF3 synthesis; the fluorinefeed carries its own production burdenthrough the linked fluorine dataset, so itis not charged again hereENTERING FLOWSElectricityWaterMaterialsThermalSYSTEM BOUNDARYAGGREGATED PRODUCTION MODELModelled as one production operation.This dataset models the production of this material as a single aggregated operation at the supplier plant.Its inputs and outputs are recorded against that operation rather than a step-by-step recipe.REFERENCE PRODUCTNitrogen trifluorideNot stated in the dataset recordEMISSIONS AND WASTEEmissions to airEmissions to waterWaste routesRECORDED BUT NOT QUANTIFIEDExclusions not yet characterisedNo exclusion record was found for this datasetNOT CHARACTERISEDsystem boundaryreference flowentering flowemission / waste

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.

Download this figure (SVG)

Data quality and references

Composite DQI 1.7 Very good
Reliability
2.0
Completeness
1.0
Temporal
1.0
Geographic
2.0
Technological
4.0

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