Phosphorus oxychloride (phosphoryl chloride), Phosphorus oxychloride (distilled) to storage

Activity Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h), GLO: the inventory of 1 kilogram of its reference product, attributional, cut-off.

Calculation maturity: not assessed Design maturity: Concept (research)Not independently reviewedphosphorus-oxychloride-1:phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3:product:POCL3PreliminaryReport a problem with this dataset
Research outputAn inventory from a research design at the design maturity its process states, not verified plant data: check its calculation maturity and review status before use. Background activities are referenced by name only; no background data is included. All caveats

What it is

Unallocated foreground LCI of Phosphorus oxychloride from white phosphorus, chlorine and oxygen (4.0 t/h POCl3), case design, derived from the flowsheet by cheme assess lca.

Reference product
1 kilogram of Phosphorus oxychloride (phosphoryl chloride), Phosphorus oxychloride (distilled) to storage (liquid, 3 bar(a), 35 degC, 99.9976 % POCL3 (mole))
Chemical
phosphorus-oxychloride
CAS
10025-87-3
Code
phosphorus-oxychloride-1:phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3:product:POCL3
Dataset
phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3 version 0.1.0 · UUID 92e10229-13b9-56ea-9fc6-14cc084aad18
Activity UUID
not available (the library assigns none; use the code)
Database
cheme-as-code-atlas-preview-c3ab348 (version preview-c3ab348)
Process
Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)
Geography
GLO · background inputs with a site rule link at the user's site location (default DE)
Time period
2026 · valid until 2031
Technology
Chlorination of molten white phosphorus to PCl3 in a boiling reactor-still, liquid-phase oxidation of PCl3 with oxygen in a cooled loop reactor, two-column distillation with PCl3 recycle and residue purge, caustic vent scrubber; 4.0 t/h POCl3 · level current
Boundary
gate-to-gate foreground of the plant
Production volume
32,000,000 kg/a (product:POCL3 per hour x operation.hours_per_year (8000 h/a))
Classification
ISIC Rev.4 2011 (taxonomy/families.yaml (ISIC Rev.4) of the process's families)
System model
attributional, cut-off (docs/system-model.md, methodology 1.1.0)
Allocation
mass, 100 % of the dataset to this product (rule single-output, from default)
one product: nothing to allocate
Rights
CC-BY-4.0: the ChemE-as-Code process library's own concept design (LICENSE-DATA)

Exchanges per 1 kilogram of Phosphorus oxychloride (phosphoryl chloride), Phosphorus oxychloride (distilled) to storage

As exported: allocated and scaled to the reference product. Provenance: 14 assumed. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Preliminary4 exchanges are not yet linked to a background dataset. They count no burden, so the inventory is incomplete: do not read a result from it as complete.
InputAmountUnitProvenancePedigreeLinked to
Molten white phosphorus (thermal phosphorus furnace outside the boundary)
feed:P4
flowsheet stream S1 (scripts/balance.py, D-002, D-003)
From stream S1
0.2031kilogramassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (no chemical slug or factor id); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Dry chlorine gas (chlor-alkali-1)
feed:CL2
flowsheet stream S2 (D-003, D-004)
From stream S2
0.7036kilogramassumed4 4 1 3 3Atlas (pinned): Chlor-alkali by membrane-cell electrolysis (100 kt/a Cl2, 50 wt-% caustic soda, hydrogen) (Dry chlorine gas to the consumer (400 kPa(a)), GLO)
compatible: grade the input names no chemical only; chlorine (Dry chlorine gas to the consumer (400 kPa(a))) is taken; unit kilogram; system model cutoff (one database); allocation shares (deviation); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Gaseous oxygen 99.7 mol% (asu-1)
feed:O2
flowsheet stream S10 (D-003, D-005)
From stream S10
0.1046kilogramassumed4 4 1 3 3Atlas (pinned): Cryogenic air separation unit (500 t/d GOX) (Oxygen, gaseous, >= 99.5 mol%, 30 barg, GLO)
compatible: grade the input names oxygen only; oxygen/gox-30barg-99.5 (Oxygen, gaseous, >= 99.5 mol%, 30 barg) is taken; unit kilogram; system model cutoff (one database); allocation exergy (physical-exergy); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Caustic soda 50 wt% (chlor-alkali-1)
feed:NAOH
flowsheet stream S20, mass of the 50 wt% solution (D-009)
From stream S20
0.003869kilogramassumed4 4 1 3 3Atlas (pinned): Chlor-alkali by membrane-cell electrolysis (100 kt/a Cl2, 50 wt-% caustic soda, hydrogen) (Sodium hydroxide, Caustic soda 50 wt-% to storage, GLO)
compatible: grade the input names no chemical only; sodium-hydroxide (Sodium hydroxide, Caustic soda 50 wt-% to storage) is taken; unit kilogram; system model cutoff (one database); allocation shares (deviation); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Process water (dilution)
feed:PW
flowsheet stream S21 (D-009)
From stream S21
0.006877kilogramassumed4 4 1 3 3market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Electric power
feed:POWER
flowsheet energy streams Q10 (R-101 agitator, P-101), Q11 (R-201 loop pump P-201, P-202), Q12 (distillation pumps), Q13 (scrubber pump), D-010
electricity
From streams Q10, Q11, Q12, Q13
0.01289kilowatt hourassumed4 4 1 3 3market for electricity, medium voltage (electricity, medium voltage, DE, site location) in your background (default ecoinvent-3.11-cutoff)
LP steam 400 kPa(a)
feed:LPS
flowsheet energy streams Q5, Q7 (column reboilers), D-008
steam, LP, 143.62 degC, 4 bar(a)
From streams Q5, Q7
0.1105kilowatt hourassumed4 4 1 3 3Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Distillation residue to hazardous-waste incineration
product:RES
flowsheet stream S15 (D-008)
From stream S15
0.005025kilogramassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (no chemical slug or factor id); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Spent scrubber liquor to wastewater treatment
product:EFF
flowsheet stream S24 (D-009)
From stream S24
0.01155kilogramassumed4 4 1 3 3Atlas (plant): wastewater to treatment, per kg (Atlas unit proxy) (wastewater, by mass, GLO)
compatible: grade the input names wastewater only; wastewater (Wastewater treated) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Cooling water return
product:CW
flowsheet energy streams Q1 (R-101 reflux condenser), Q3 (R-201 loop cooler), Q6, Q8 (column condensers), Q9 (product cooler), D-005, D-007
cold, 25 degC
From streams Q1, Q3, Q6, Q8, Q9
1.203kilowatt hourassumed4 4 1 3 3Atlas (plant): cooling water service, per kWh heat rejected (Atlas screening proxy) (heat rejected to cooling water, GLO)
compatible: grade the input names cooling-water only; cooling-water (Heat rejected to cooling water, 25/35 degC) is taken; unit kilowatt hour; carrier cold, 25 degC from cold, 25 degC; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Chilled water return (vent condensers)
product:CHW
flowsheet energy streams Q2, Q4 (vent condensers), D-007
cold, 5 degC
From streams Q2, Q4
1.083e-4kilowatt hourassumed4 4 1 3 3unlinked
unlinked, no technosphere mapping: no mapping (chemical 'chilled-water'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges

Elementary flows

FlowDirectionCompartmentAmountUnitProvenancePedigree
Chlorine
39d1390a-ded6-41cb-a536-d47510bf2fbc
From stream S23
emissionair3.488e-8kilogramassumed4 4 1 3 3
Phosphorus trichloride
dcedc211-8daa-49ac-82a9-ce60a22d9b43
From stream S23
emissionair7.66e-9kilogramassumed4 4 1 3 3
POCL3 to the environment
emission:POCL3
unlinked
unlinked, no biosphere mapping: emission of POCL3 (fossil) has no biosphere3 flow identity and is not in lci/mappings.yaml biosphere
From stream S23
emissionnot linked5.013e-8kilogramassumed4 4 1 3 3

The streams are the plant's own flows: an amount here is allocated and per 1 kilogram of Phosphorus oxychloride (phosphoryl chloride), Phosphorus oxychloride (distilled) to storage, so it differs from the stream's flow, and it can sum several streams.

Where these numbers come from: each exchange names its source above; the dataset is processes/phosphorus-oxychloride-1/lca/dataset.yaml in library version c3ab348.

Used by

No other activity of this database links to it.

How good it is

Review
Not reviewed: no LCI review record yet
Data quality
DQR 2.33 · PEF-style DQR 2.75
TeR 3 · GeR 3 · TiR 1 · P 4 · C 4 · weakest TeR · primary data 0 %
Mass and carbon closure
Assessed (lca/manifest.json balance, tolerance 5 %: design maturity concept (sourced screening))
  • lci-carbon-origin: closed
  • lci-element-balance: closed
  • lci-mass-balance: closed
Change report
Not available: this build has no change report against an earlier release.

KPI benchmark positions

Not available: no benchmarked KPI for this dataset.

How to use it

Downloads

A file with this activity alone is not available: each file above is the whole database, and the line under it says how to find this activity there.

import bw2data as bd
from cheme_as_code_lci import install

bd.projects.set_current("my-project")   # holds your licensed background + biosphere3
install("cheme-as-code-atlas-preview-c3ab348.xlsx", background="ecoinvent-3.11-cutoff", location="DE")
activity = bd.get_activity(("cheme-as-code-atlas-preview-c3ab348", "phosphorus-oxychloride-1:phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3:product:POCL3"))

While any exchange of the database has no mapping, install() writes nothing and only lists the unlinked exchanges. So the last line finds no activity until the gaps are mapped: the download section gives the ways to use the database now.

How to cite

Phosphorus oxychloride (phosphoryl chloride), Phosphorus oxychloride (distilled) to storage, from Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h) (dataset phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3 0.1.0), ChemE-as-Code Process Atlas LCI database preview-c3ab348, activity phosphorus-oxychloride-1:phosphorus-oxychloride-from-white-phosphorus-chlorine-and-oxygen-4.0-t-h-pocl3:product:POCL3. Cite the Process Atlas paper (in preparation, 2026), by Artur M. Schweidtmann and Jana M. Weber, and the ChemE-as-Code Process Atlas LCI database version preview-c3ab348.

DOI: none yet (the Process Atlas paper is in preparation)

For the data, cite the Process Atlas paper; for the platform that builds and checks it, the ChemE-as-Code paper.

Schweidtmann, A. M. & Weber, J. M. (2026, in preparation). Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title).

BibTeX
@unpublished{schweidtmann_process_atlas,
  author = {Schweidtmann, Artur M. and Weber, Jana M.},
  title = {{Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title)}},
  year = {2026},
  url = {https://atlas.cheme-as-code.org},
  note = {in preparation}
}

Schweidtmann, A. M. (2026, in preparation). ChemE-as-Code: An Open-Source Platform for AI-Accelerated Chemical Process Engineering (working title).

BibTeX
@unpublished{schweidtmann_cheme_as_code,
  author = {Schweidtmann, Artur M.},
  title = {{ChemE-as-Code: An Open-Source Platform for AI-Accelerated Chemical Process Engineering (working title)}},
  year = {2026},
  url = {https://cheme-as-code.org},
  note = {in preparation}
}