{
  "authors": [],
  "basis": {
    "capacity": "1000 t/a dried p-TsCl: 571.8 batches/a of 1748.95 kg in 7920 h on a dedicated train (126.26 kg/h year average), ASSUMED (DESIGN.md D-002, D-003, D-013)",
    "location": "generic fine-chemicals site with a chlorosulfonic acid supply (not chosen)",
    "operating_hours_per_year": 7920
  },
  "benchmarks": [
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "expression": "feed:CSA / product:TSCL",
      "family": "chlorinated-organics",
      "kpi": "tscl-specific-chlorosulfonic-acid",
      "no_open_reference": "No open source with a plant's chlorosulfonic acid use per kg p-TsCl found (searched 2026-11-05 as for tscl-specific-toluene); the patents give laboratory ratios of about 3 (DE 1 912 956 A1) to 4 (PL 73685 B2) mol per mol toluene. Only the stoichiometric floor, 1.222 kg/kg, is known.",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": null,
      "status": "unchecked",
      "title": "Chlorosulfonic acid consumption per kg of p-toluenesulfonyl chloride",
      "unit": "kg/kg",
      "value": null
    },
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "expression": "feed:TOL / product:TSCL",
      "family": "chlorinated-organics",
      "kpi": "tscl-specific-toluene",
      "no_open_reference": "No open source with a plant's or a pilot's toluene use per kg p-TsCl found independent of the dataset (searched 2026-11-05: Google Patents DE 1 912 956 A1, the dataset's basis, PL 73685 B2 and CN 105503671 A, all laboratory examples; web search for p-toluenesulfonyl chloride production consumption figures, which gave only encyclopaedia summaries, not read where licensed). Only the stoichiometric floor, 0.483 kg/kg, is known.",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": null,
      "status": "unchecked",
      "title": "Toluene consumption per kg of p-toluenesulfonyl chloride",
      "unit": "kg/kg",
      "value": null
    }
  ],
  "chemistry": {
    "inputs": [
      {
        "chemical": "chlorosulfonic-acid",
        "grade": null,
        "note": "feed:CSA: technical chlorosulfonic acid (merchant), 2.32 kg/kg p-TsCl in two portions; no library process makes it (proxy SO3 + HCl recorded, D-012)",
        "role": "feedstock"
      },
      {
        "chemical": "toluene",
        "grade": null,
        "note": "feed:TOL: dry toluene (btx-1), 0.612 kg/kg p-TsCl",
        "role": "feedstock"
      },
      {
        "chemical": "ammonium-chloride",
        "grade": null,
        "note": "feed:NH4CL: technical ammonium chloride (merchant), 0.160 kg/kg p-TsCl; raises the para share (DE 1 912 956 A1)",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-hydroxide",
        "grade": null,
        "note": "feed:NAOH: caustic soda 50 wt% (chlor-alkali-1) to the HCl scrubber, 0.871 kg/kg p-TsCl, counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:PW",
        "note": "Quench heel and scrubber make-up, 8.64 kg/kg p-TsCl",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:WASHW",
        "note": "Ice-cold cake washes, 4.03 kg/kg p-TsCl",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "p-toluenesulfonyl-chloride",
        "grade": null,
        "inventory_key": "product:TSCL",
        "note": "Dried p-TsCl crystals to packing; modelled 99.7 wt% p-TsCl, an upper bound: the cake's o-TsCl retention is not modelled (DESIGN.md L-4), the source's crude has 90 % para",
        "role": "main-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WA",
        "note": "Waste acid (mother liquor, wash filtrates, dryer condensate), 12.6 kg/kg p-TsCl: 8 wt% H2SO4, 2 wt% HCl, 2.7 wt% NH4HSO4, toluenesulfonic acids and the o-TsCl oil, to neutralisation",
        "role": "waste"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WS",
        "note": "Spent scrubber liquor, 3.02 kg/kg p-TsCl, 20 wt% NaCl with excess NaOH, to wastewater treatment",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "0.193 kWh/kg p-TsCl: agitators of R-101, Q-101 and F-101, the paddle dryer, vacuum pump, scrubber pump and fan (ASSUMED)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "0.340 kWh (1.22 MJ)/kg p-TsCl of LP steam: R-101's heat-up and the dryer's hot-water circuit (cheme's dryer model, the vessel's heat each batch included)",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "0.610 kWh/kg p-TsCl removed by cooling water: the heat of sulfonation, the cool-down to 308 K and the scrubber (the caustic's ASSUMED dilution heat included)",
        "role": "utility"
      },
      {
        "chemical": "chilled-water",
        "grade": null,
        "inventory_key": "product:BRINE",
        "note": "0.811 kWh/kg p-TsCl removed by brine at 258 K: the heel cooled, the quench heat with the dosed acids' dilution heat (Q101's model, 0.435 kWh, of it 0.127 kWh the dilution), the dryer's vacuum condenser (0.202 kWh) and the wash water chilled to 278 K (0.094 kWh) (the registry has chilled water, not brine: closest entry)",
        "role": "utility"
      }
    ]
  },
  "description": "The route is the salt-modified chlorosulfonation of DE 1 912 956 A1 (Hoechst, 1969, Example 1):\nper mol of toluene 1.5 mol of chlorosulfonic acid and 0.45 mol of ammonium chloride are charged,\nthe salt is added in portions (HCl escapes), toluene is dosed at 338 K, the mass is cooled to\n308 K, a second 1.5 mol of acid is added and held for 1 h, and the mass is drowned in water.\nThe salt raises the para share of the sulfonation to 90 % (the patent's p-content). The\nsulfonic acids go 90 % to the sulfonyl chlorides (ASSUMED); the rest stays in the waste acid.\nIn the quench the excess acid and the ammonium chlorosulfate hydrolyse, p-TsCl precipitates\n(assumed solubility 0.5 g per kg water), and the ortho isomer, an oil above 10 C, stays with\nthe liquor. Two reslurry washes with ice water and vacuum drying at 308 K give the product.\nThe modelled assay is 99.7 wt% p-TsCl, an upper bound: the cake's o-TsCl retention is not\nmodelled (DESIGN.md L-4), and the source's crude has 90 % para. The modelled yield is 78.8 % on\ntoluene. That is above the patent's 77 % of theory as para compound in its crude (an ASSUMED\nbetter in-mass conversion, DESIGN.md D-005); calibrated to the patent, it would be about 76 %.\nThe HCl of both vents (0.38 kg\nper kg product) is neutralised in a caustic scrubber; 12.6 kg of dilute waste acid (8 wt%\nH2SO4, 2 wt% HCl) per kg product goes to neutralisation.\n\nThe batch is modelled with cheme-as-code 1.10.0: the chlorosulfonator R101 and the quench Q101\nare semi-batches (reactor: semibatch) with an HCl vent (batch.vent, core ADR 0054); the\nprecipitation and the two reslurry washes are crystallizers with the liquor's other solutes\nas spectators (core ADR 0056); the Nutsche filter is one recipe vessel over five steps with\nRuth filtration times and the paddle dryer core's dryer to a residual moisture (core ADR 0057).\nThe recipe gives the cycle (13.85 h, R-101 the bottleneck, 571.8 batches a year), sizes the\nvessels, checks the jackets and reports the scrubber load per batch (657 kg HCl). The heats of\nR101, R102 and Q101 come from their models (core ADR 0059), the quench's with the dilution heat\nof the dosed acids (a dose's heat of solution, core ADR 0063). Kinetics and heats of reaction are ASSUMED (no\nopen data): the sulfonation accumulates 1.7 % of the toluene and its cooling-failure\ntemperature reaches 343.6 K against an MTT of 383.75 K (toluene's boiling point), with 60 m3/h\nof HCl released against a vent of 150 m3/h (core ADR 0058); a 100 times slower rate would\nexceed both the MTT and the vent. See DESIGN.md for every assumption.\n",
  "design_basis": {
    "assumptions": [
      "Route: ammonium chloride and toluene into chlorosulfonic acid at 60-70 C, a second acid portion at 35 C, the mass drowned in ice water (DE 1 912 956 A1, Example 1; D-001); per mol toluene 1.5 + 1.5 mol ClSO3H and 0.45 mol NH4Cl (D-004).",
      "ASSUMED kinetics and heats of reaction (no open data, D-005): fast second-order sulfonation in the patent's 90 : 10 para share, -100 kJ/mol; 90 % of the sulfonic acids to the sulfonyl chlorides in the second stage (above the patent's crude: 78.8 % para product against its 77 %, D-005); the quench heats effective values to the dilute liquor.",
      "ASSUMED solubility of p-TsCl 0.5 g per kg water in the acid liquor (insoluble and reactive, PubChem), no salting-out correction (D-007).",
      "ASSUMED filters: 99.8 % solid recovery, 0.3 kg liquor per kg cake solid, specific cake resistance 1e10 m/kg at 200 kPa; two reslurry washes with 2 kg ice water per kg solid (D-007).",
      "ASSUMED vacuum drying at 308 K to 0.2 wt% volatiles, 70 % thermal efficiency, a mean drying rate of 3 kg/(m2 h) on 15 m2 (D-008).",
      "All flows are year averages of the recipe (D-003); the dryer's heat from cheme's dryer model, the heats of R101, R102 and Q101 from their models (written by cheme process propagate, D-014; Q101's with the dosed acids' heat of solution, D-015), the other duties hand arithmetic from the stream table (D-009); accuracy +/-30 % not demonstrated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "p-Toluenesulfonyl chloride by semi-batch chlorosulfonation of toluene with an HCl vent, a drown-out quench and precipitation, a batch plant, concept stage (issue ChemE-as-Code/process-library#162)",
    "name": "p-Toluenesulfonyl chloride",
    "requires": "cheme-as-code>=1.10",
    "stage": "concept",
    "stages": [
      {
        "id": "concept",
        "title": "Concept and feasibility"
      },
      {
        "id": "basic",
        "title": "Basic engineering"
      },
      {
        "id": "detail",
        "title": "Detail engineering"
      }
    ],
    "tool": "plantcode"
  },
  "facets": {
    "feedstock_basis": [
      "fossil",
      "mineral",
      "electricity"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "crystallization",
      "filtration",
      "drying",
      "absorption"
    ]
  },
  "families": [
    "chlorinated-organics"
  ],
  "gap_count": 5,
  "gates": null,
  "id": "p-toluenesulfonyl-chloride-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Ap-toluenesulfonyl-chloride-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Ap-toluenesulfonyl-chloride-1&process=p-toluenesulfonyl-chloride-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "p-toluenesulfonyl chloride",
    "tosyl chloride",
    "TsCl",
    "chlorosulfonic acid",
    "toluene",
    "chlorosulfonation",
    "ammonium chloride",
    "semi-batch",
    "batch",
    "dosing",
    "HCl vent",
    "quench",
    "drown-out",
    "precipitation",
    "Nutsche filter",
    "vacuum dryer",
    "caustic scrubber",
    "fine chemicals"
  ],
  "lca": {
    "allocation": null,
    "backend": "factors",
    "boundary": "cradle-to-gate",
    "categories": [
      {
        "id": "climate-change",
        "method": "GWP100",
        "title": "Climate change",
        "unit": "kg CO2-eq"
      }
    ],
    "contributions": [],
    "data_sources": [],
    "factors_status": "none",
    "functional_unit": {
      "amount": 1,
      "chemical": "p-toluenesulfonyl-chloride",
      "grade": null,
      "label": "1 kg p-Toluenesulfonyl chloride",
      "product": "TSCL",
      "product_name": "p-Toluenesulfonyl chloride",
      "product_title": "p-Toluenesulfonyl chloride crystals to packing",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of p-toluenesulfonyl chloride made by the salt-modified semi-batch chlorosulfonation of toluene, a drown-out quench in water, filtration, washing and vacuum drying, with the HCl off-gas neutralised in a caustic scrubber, at the concept stage: which raw materials, utilities and wastes the batch plant exchanges per kg of dried p-TsCl, as the foreground for a later cradle-to-gate study. No impact results: most backgrounds are not mapped yet (D-012).",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:CSA",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.32139,
        "title": "Chlorosulfonic acid (merchant)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:NH4CL",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.159853,
        "title": "Ammonium chloride (merchant)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:TOL",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.611898,
        "title": "Toluene (btx-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:PW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 8.63753,
        "title": "Process water (quench heel, scrubber make-up)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:WASHW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 4.0262,
        "title": "Process water for the cake washes (chilled in T-101)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:NAOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.870564,
        "title": "Caustic soda 50 wt% (chlor-alkali-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.193247,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.340038,
        "title": "LP steam 350 kPa(a) (R-101 heating, the dryer's hot-water circuit)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:TSCL",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.0,
        "title": "p-Toluenesulfonyl chloride crystals to packing",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:WA",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 12.6046,
        "title": "Waste acid (mother liquor, wash filtrates, dryer condensate) to neutralisation",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:WS",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 3.02274,
        "title": "Spent scrubber liquor to wastewater treatment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.609614,
        "title": "Cooling water return",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:BRINE",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.810697,
        "title": "Chilled brine return (263 K)",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "consumable:nitrogen",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.10006,
        "title": "Nitrogen for inerting R-101, pressing the Nutsche filtrations and breaking the dryer's vacuum",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "consumable:rinse-water",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.14355,
        "title": "Rinse water of Q-101 and F-101 between batches",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.rinse-water",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.14355,
        "title": "Disposal: Rinse water of Q-101 and F-101 between batches (site wastewater treatment of the acidic rinse water, with the waste acid (D-010))",
        "unit": "kg"
      }
    ],
    "no_total": {
      "baseline": {
        "climate-change": {
          "gaps": 15,
          "reason": "every-contribution-a-gap"
        }
      }
    },
    "not_computed": [
      "climate-change"
    ],
    "pcf": [],
    "publishable": true,
    "result": {
      "classification": "partial",
      "gaps": 15,
      "label": "partial screening carbon footprint",
      "publication": "public"
    },
    "sources": [
      "lca/README.md",
      "lca/dataset.yaml",
      "lca/factors.yaml",
      "lca/gaps.csv",
      "lca/inventory.csv",
      "lca/lca.yaml",
      "lca/mappings.yaml",
      "lca/results.csv",
      "lca/results.md"
    ],
    "totals": {
      "baseline": {}
    },
    "withheld_reason": null
  },
  "lci_gaps": [
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "key": "feed:CSA",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "key": "feed:NH4CL",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "key": "product:BRINE",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "key": "consumable:rinse-water",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "p-toluenesulfonyl-chloride-by-semi-batch-chlorosulfonation-of-toluene-with-a-drown-out-quench-1000-t-a",
      "key": "disposal:consumable.rinse-water",
      "link": "technosphere",
      "type": "output"
    }
  ],
  "maintainers": [
    {
      "name": "Artur Schweidtmann"
    }
  ],
  "maturity": "concept",
  "preliminary": true,
  "provenance": {
    "library_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174",
    "previews": {
      "sheets": [
        "BFD",
        "PFD"
      ],
      "source_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174",
      "tool": "cheme 1.6.0 (pyDEXPI 2.1.0)"
    },
    "previews_stale": false,
    "source_commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174"
  },
  "publication": {
    "license": "CC-BY-4.0",
    "status": "public"
  },
  "references": [
    {
      "title": "Schaeffer, G.; Otten, J. (Farbwerke Hoechst, 1969/1970) DE1912956A1: Verfahren zur Herstellung von p-Toluolsulfochlorid (Example 1: ammonium chloride in chlorosulfonic acid, toluene at 60-70 C, second acid portion at 35 C, ice-water quench; crude 84-85 % of theory with 90 % p-content; prior art: a continuous process with about 69 % p-content)",
      "url": "https://patents.google.com/patent/DE1912956A1/en"
    },
    {
      "title": "Osrodek Badawczo-Rozwojowy Przemyslu Barwnikow (1971/1974) PL73685B2: Sposob wytwarzania p-toluenosulfochlorku (quench onto ice, filtration, three ice-water washes, vacuum drying at 30-40 C, yield above 80 %; a route via sulfuric acid sulfonation and isomerisation, not used)",
      "url": "https://patents.google.com/patent/PL73685B2/en"
    },
    {
      "title": "PubChem CID 7397, 4-Methylbenzenesulfonyl chloride (identity; mp 69-71 C, density 1.33 g/cm3, insoluble in water and reacting with it, HSDB record)",
      "url": "https://pubchem.ncbi.nlm.nih.gov/compound/7397"
    },
    {
      "doi": "10.1002/9783527621606",
      "title": "Stoessel, F. (2008) Thermal Safety of Chemical Processes, Wiley-VCH (accumulation and MTSR of a semi-batch; method reference, not data)"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/p-toluenesulfonyl-chloride-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 41078,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/p-toluenesulfonyl-chloride-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 203399,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/p-toluenesulfonyl-chloride-1/PFD.svg",
      "source": "process/PFD.xml",
      "status": "preview",
      "title": "Process flow diagram"
    },
    {
      "id": "process-model",
      "kind": "process-model",
      "source": "process/flowsheet.yaml",
      "status": "viewer",
      "title": "Flowsheet and stream table"
    },
    {
      "id": "simulation",
      "kind": "simulation",
      "source": "process/simulation.yaml",
      "status": "viewer",
      "title": "Process simulation"
    },
    {
      "id": "equipment-list",
      "kind": "equipment-list",
      "source": "equipment/equipment-list.yaml",
      "status": "viewer",
      "title": "Equipment list"
    },
    {
      "id": "lca",
      "kind": "lca",
      "source": "lca/lca.yaml",
      "status": "viewer",
      "title": "Life cycle assessment"
    }
  ],
  "summary": "A batch plant: toluene is dosed into chlorosulfonic acid with ammonium chloride (HCl vented to a scrubber), a second acid portion gives the sulfonyl chlorides, and the mass is drowned in cold water, where p-TsCl precipitates, is filtered, washed and vacuum-dried. Concept stage, 1749 kg per batch every 13.85 h on a dedicated train, preliminary gate-to-gate LCI.",
  "title": "p-Toluenesulfonyl chloride by semi-batch chlorosulfonation of toluene with a drown-out quench (1000 t/a)",
  "validation": {
    "notes": "Concept batch PFD with closed mass, component and element balances (cheme validate: 4 blocks, 17 steps). Every material stream is calculated by cheme process propagate from the feeds: the semi-batches R101 and Q101 from their ASSUMED rate laws with the HCl vented (core ADR 0054), R102 and the scrubber as conversion steps, the precipitation CR101 and the washes W101, W102 as crystallizers with spectators on an ASSUMED solubility with no salting-out correction, the filters as specified splits, the dryer D101 to an ASSUMED residual moisture with its heat from cheme's dryer model. The feeds are sized by hand for 1000 t/a (the outlets scale with them); the duties of R101, R102 and Q101 are written by the models (core ADR 0059), Q101's with the ASSUMED heat of solution of the dosed acids (core ADR 0063), and the other duties are hand arithmetic from the stream table. The recipe takes the dosing, post-reaction, heating, cooling, filtration and drying times from the models (cheme process recipe, no cheme.recipe-basis or cheme.recipe-jacket finding). Thermal screening (cheme process reactor-hazards): R101 dT_ad 238 K, accumulation 1.7 %, MTSR 343.6 K against an MTT of 383.75 K; a cooling failure's HCl up to 145.5 m3/h at the end of the salt addition (60.3 m3/h at the MTSR) against an ASSUMED vent capacity of 150 m3/h, about 3 % margin; Q101 dT_ad 39.1 K (14.2 K of it the dosed acids' heat of solution), MTSR 298.2 K against 373.1 K, 14.1 m3/h of HCl at the end of the dosing (the ASSUMED 10 % vented share; all of it about 141 m3/h); no criticality class without a TD24 from calorimetry (never estimated). The kinetics are assumed: at k/10 R101's release reaches the vent's capacity (150 m3/h), at k/100 its MTSR is 420 K and its HCl 1302 m3/h, 8.7 times the vent (a design finding: dosing and salt-addition interlocks, emergency relief from calorimetry, DESIGN.md D-014). Preliminary gate-to-gate LCI with nitrogen and rinses as per-batch consumables; toluene, caustic soda and nitrogen linked to btx-1, chlor-alkali-1 and asu-1, chlorosulfonic acid and ammonium chloride gaps with their proxy recorded. Not reviewed. Needs cheme-as-code 1.9.0.",
    "status": "unreviewed"
  },
  "viewer": {
    "commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174",
    "dirty": false,
    "sheets": [
      "process/BFD.xml",
      "process/PFD.xml"
    ],
    "skipped": [],
    "snapshot": "snapshots/p-toluenesulfonyl-chloride-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks"
    ]
  }
}