Irreversible reaction

Oxidation of PCl3 by the oxygen of the chlorine feed

2PCl3+O22POCl3

Direction
Irreversible
Processes
1
Stated as
Fixed conversion
Heat of reaction
ΔH = -554,800 kJ/kmol (one process)
Element balance
Checked: balances
As the processes state itStoichiometry, conversions, heats of reaction and catalyst windows are taken from each process's files with their provenance. The build checks only that each process's equation balances in every element, from the process's own component formulas; it does not check the numbers. A process's design maturity applies to them.

Species

SpeciesNameCASRoleCoefficient
PCl3Phosphorus trichloride7719-12-2reactant-2
O2Oxygen7782-44-7reactant-1
POCl3Phosphorus oxychloride (phosphoryl chloride)10025-87-3product2

In the processes

2 statements in one process: a process may state the reaction more than once (both ways, or at another scale).

  • Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)Concept · not reviewed

    PCL3_OX_R101 · Oxidation of PCl3 by the oxygen of the chlorine feedPCl3 + 1/2 O2 → POCl3

    Scale
    Written at 0.5 times the scale
    Stated as
    Fixed conversion
    Phase
    liquid
    Element balance
    Balances in every element
    Conversion
    99 % of O2 (assumed: D-004: the 0.81 wt% O2 of chlor-alkali-1's chlorine is taken up by the boiling PCl3 (ASSUMED 99 %); the POCl3 formed goes on to R-201 with the PCl3)
    Heat of reaction
    ΔH = -277,400 kJ/kmol at 298.15 K, as written (given: liquid formation enthalpies of chemicals (CRC): -597.1 + 319.7 kJ/mol)
  • Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)Concept · not reviewed

    PCL3_OX · Oxidation of PCl3 to POCl3PCl3 + 1/2 O2 → POCl3

    Scale
    Written at 0.5 times the scale
    Stated as
    Fixed conversion
    Phase
    liquid
    Element balance
    Balances in every element
    Conversion
    99.5 % of PCL3 (assumed: D-005: PCl3 conversion per pass, ASSUMED; US4183905 aims at substantially complete conversion in one reactor with 1-10 % O2 excess (its example: about 9.47 of 9.48 parts of feed leave as POCl3); the residual PCl3 is recycled from C-301)
    Heat of reaction
    ΔH = -277,400 kJ/kmol at 298.15 K, as written (given: liquid formation enthalpies of chemicals (CRC): POCl3(l) -597.1, PCl3(l) -319.7 kJ/mol; consistent with the 800-1000 BTU per lb of PCl3 (255-320 kJ/mol) that US4183905 says must be removed)

Sources

What the processes cite for this reaction, each source once: for the reaction itself, its conversion, its heat of reaction or its catalyst. As the processes write them; DOIs, US patent numbers and web addresses are linked.

  1. D-004: the 0.81 wt% O2 of chlor-alkali-1's chlorine is taken up by the boiling PCl3 (ASSUMED 99 %); the POCl3 formed goes on to R-201 with the PCl3

    For the conversion · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)

  2. liquid formation enthalpies of chemicals (CRC): -597.1 + 319.7 kJ/mol

    For the heat of reaction · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)

  3. US4183905A (1980) Producing phosphorus oxyhalide, https://patents.google.com/patent/US4183905: description (two-zone column, 30-95 C, cooling-water jacket, excess O2 1-10 %, PCl3:O2 mass ratio 8.56-7.15, explosion hazard of vapour with >= 50 % PCl3) and example

    For the reaction · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)

  4. US5183649A (1993) Production of phosphorus compounds, https://patents.google.com/patent/US5183649: description (loop reactor, 50-110 C, about atmospheric pressure, circulating liquid as heat sink, fractional distillation of the product)

    For the reaction · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)

  5. D-005: PCl3 conversion per pass, ASSUMED; US4183905 aims at substantially complete conversion in one reactor with 1-10 % O2 excess (its example: about 9.47 of 9.48 parts of feed leave as POCl3); the residual PCl3 is recycled from C-301

    For the conversion · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)

  6. liquid formation enthalpies of chemicals (CRC): POCl3(l) -597.1, PCl3(l) -319.7 kJ/mol; consistent with the 800-1000 BTU per lb of PCl3 (255-320 kJ/mol) that US4183905 says must be removed

    For the heat of reaction · cited by Phosphorus oxychloride from white phosphorus, chlorine and oxygen via PCl3 (4.0 t/h)