{
  "authors": [],
  "basis": {
    "capacity": "500 t/a dried NBS: 1495 batches/a of 334.41 kg in 7920 h on a dedicated train (63.13 kg/h year average), ASSUMED (DESIGN.md D-002, D-003, D-013)",
    "location": "generic fine-chemicals site with a bromine supply (not chosen)",
    "operating_hours_per_year": 7920
  },
  "benchmarks": [
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "expression": "feed:BR2 / product:NBS",
      "family": "nitrogen-organics",
      "kpi": "nbs-specific-bromine",
      "no_open_reference": "No open source with a plant's or a pilot's bromine use per kg NBS found (searched 2026-11-05: Google Patents for the preparation of N-bromosuccinimide from succinimide, bromine and NaOH, US 2 971 960 read; PubChem CID 67184; web search for NBS production yields). Only the stoichiometric floor, 0.898 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": "Bromine consumption per kg of N-bromosuccinimide",
      "unit": "kg/kg",
      "value": null
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "expression": "product:WW / product:NBS",
      "family": "nitrogen-organics",
      "kpi": "nbs-specific-wastewater",
      "no_open_reference": "No open source with the liquor volume of NBS manufacture found (searched 2026-11-05 as for nbs-specific-bromine); US 2 971 960 says only that the caustic route needs much water to wash the bromide out of the product, no amount.",
      "problem": "1 to kg/kg needs core's foundation.units (pip install 'cheme-as-code[units]')",
      "reference": null,
      "status": "unchecked",
      "title": "Wastewater (mother liquor, wash and condensate) per kg of N-bromosuccinimide",
      "unit": "kg/kg",
      "value": null
    }
  ],
  "chemistry": {
    "inputs": [
      {
        "chemical": "succinimide",
        "grade": null,
        "note": "feed:SUCC: technical succinimide (merchant), 0.603 kg/kg NBS",
        "role": "feedstock"
      },
      {
        "chemical": "bromine",
        "grade": null,
        "note": "feed:BR2: dry liquid bromine (bromine-1), 0.954 kg/kg NBS; half of it leaves as NaBr",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-hydroxide",
        "grade": null,
        "note": "feed:NAOH: caustic soda 50 wt% (chlor-alkali-1), 0.487 kg/kg NBS, counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:PW",
        "note": "Dissolution water, 2.98 kg/kg NBS",
        "role": "feedstock"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "feed:WASHW",
        "note": "Ice-cold wash water, 1.52 kg/kg NBS",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "n-bromosuccinimide",
        "grade": null,
        "inventory_key": "product:NBS",
        "note": "Dried NBS crystals, 99.0 wt% NBS, to packing",
        "role": "main-product"
      },
      {
        "chemical": "wastewater",
        "grade": null,
        "inventory_key": "product:WW",
        "note": "Mother liquor, wash filtrate and dryer condensate, 5.54 kg/kg NBS: 10.9 wt% NaBr, 1.3 wt% dissolved NBS, succinimide and NaOH traces, to treatment",
        "role": "waste"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "0.095 kWh/kg NBS: agitators of the dissolver, brominator and filter-dryers, vacuum pump (ASSUMED)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "0.309 kWh (1.11 MJ)/kg NBS of LP steam to the filter-dryer's hot-water circuit",
        "role": "utility"
      },
      {
        "chemical": "chilled-water",
        "grade": null,
        "inventory_key": "product:BRINE",
        "note": "0.255 kWh/kg NBS removed by brine at 263 K: the caustic's dilution and the imide's deprotonation, cooling the charge, and the heat of bromination (the registry has chilled water, not brine: closest entry)",
        "role": "utility"
      }
    ]
  },
  "description": "Succinimide and caustic soda (1.02 mol each per mol of bromine) are dissolved in water (30 mol\nper mol of bromine) and cooled to 278 K. Liquid bromine is dosed into the stirred charge over\n2 h and reacts with the succinimide anion to N-bromosuccinimide and sodium bromide, the caustic\nroute US 2 971 960 describes; the NBS precipitates from the cold liquor, which keeps 14.7 g per\nkg of water in solution. The slurry is filtered, the cake is reslurried with 1.5 kg of ice water per kg and\nfiltered again, and dried at 333 K under vacuum in an agitated filter-dryer (two units, taking\nthe batches in turn). The product is 99.0 wt% NBS with 0.75 wt% NaBr and 0.2 wt% water; the\nyield is 93.2 % on bromine. The mother liquor (15 wt% NaBr), the wash filtrate and the dryer\ncondensate go to wastewater treatment: the bromide is not recovered.\n\nThe batch is modelled with cheme-as-code's semi-batch reactor (reactor: semibatch, core ADR\n0050) and batch recipe (process/recipe.yaml, core ADR 0051): the dosing and post-reaction times\ncome from the model, the brominator is the bottleneck (cycle 5.3 h, 1495 batches a year on a\ndedicated train), the recipe sizes the brominator (2 m3), and the flowsheet's flows are the\nrecipe's year averages. The bromination's kinetics and heat of reaction are ASSUMED (no open\ndata): a fast second-order reaction, so the bromine accumulates little (3.75 % at most, at the\nend of the dosing, as the imide's excess runs low) and the cooling-failure temperature stays\nwithin 1 K of the process temperature; this must be confirmed by reaction calorimetry. See\nDESIGN.md for every assumption.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED route: bromine into an alkaline succinimide solution at 278 K, NBS precipitating (D-001), the caustic route US 2 971 960 describes; half of the bromine leaves as NaBr.",
      "ASSUMED succinimide and NaOH 1.02 per Br2, 30 kmol water per kmol Br2 in the charge (D-004).",
      "ASSUMED fast effective rate law, first order in bromine and in the imide, and a heat of reaction of -80 kJ/mol overall (-30 in the dissolver, -50 in the brominator; D-005, D-009): no open kinetics or calorimetry; the low accumulation follows from them.",
      "Solubility of NBS 14.7 g per kg water, the 25 C value (PubChem CID 67184, HSDB: 1.47 g/100 g water), taken at 278 K as well: the liquors leave saturated (D-005).",
      "ASSUMED filters: 99.8 % solid recovery, 0.3 kg liquor per kg cake solid; reslurry wash with 1.5 kg ice water per kg solid (D-007).",
      "ASSUMED vacuum drying at 333 K to 0.2 wt% moisture, 70 % thermal efficiency (D-008, D-009).",
      "All flows are year averages of the recipe (D-003); duties and power concept estimates (scripts/balance.py, D-006, D-009); accuracy +/-30 % not demonstrated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "N-Bromosuccinimide by semi-batch bromination of succinimide in aqueous NaOH, a batch plant, concept stage (issue ChemE-as-Code/process-library#140, core#158 pilot)",
    "name": "N-Bromosuccinimide",
    "requires": "cheme-as-code>=1.7",
    "stage": "concept",
    "stages": [
      {
        "id": "concept",
        "title": "Concept and feasibility"
      },
      {
        "id": "basic",
        "title": "Basic engineering"
      },
      {
        "id": "detail",
        "title": "Detail engineering"
      }
    ],
    "tool": "plantcode"
  },
  "facets": {
    "feedstock_basis": [
      "mineral",
      "fossil",
      "electricity"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "reaction",
      "crystallization",
      "filtration",
      "drying"
    ]
  },
  "families": [
    "nitrogen-organics"
  ],
  "gap_count": 4,
  "gates": null,
  "id": "n-bromosuccinimide-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3An-bromosuccinimide-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3An-bromosuccinimide-1&process=n-bromosuccinimide-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "N-bromosuccinimide",
    "NBS",
    "succinimide",
    "bromine",
    "bromination",
    "semi-batch",
    "batch",
    "dosing",
    "precipitation",
    "filter-dryer",
    "sodium bromide",
    "fine chemicals",
    "brominating agent"
  ],
  "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": "n-bromosuccinimide",
      "grade": null,
      "label": "1 kg N-Bromosuccinimide",
      "product": "NBS",
      "product_name": "N-Bromosuccinimide",
      "product_title": "N-Bromosuccinimide crystals to packing",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of N-bromosuccinimide made by the semi-batch bromination of succinimide in aqueous sodium hydroxide at the concept stage: which raw materials, utilities and wastes the batch plant exchanges per kg of dried NBS, 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:PW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.98278,
        "title": "Process water (dissolution)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:NAOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.487091,
        "title": "Caustic soda 50 wt% (chlor-alkali-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:SUCC",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.603363,
        "title": "Succinimide (merchant)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:BR2",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.954007,
        "title": "Liquid bromine (bromine-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:WASHW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.51564,
        "title": "Ice-cold process water (cake wash)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.09504,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.308647,
        "title": "LP steam 350 kPa(a) (to the dryer's hot-water circuit)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:NBS",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "N-Bromosuccinimide crystals to packing",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:WW",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 5.54289,
        "title": "Mother liquor, wash filtrate and dryer condensate to wastewater treatment",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:BRINE",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.255274,
        "title": "Chilled brine return (263 K)",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "consumable:rinse-water",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.99031,
        "title": "Rinse water of R-101 and F-101 between batches",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "disposal:consumable.rinse-water",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 2.99031,
        "title": "Disposal: Rinse water of R-101 and F-101 between batches (site wastewater treatment of the rinse water, with the saline bromide liquor (D-010))",
        "unit": "kg"
      }
    ],
    "no_total": {
      "baseline": {
        "climate-change": {
          "gaps": 11,
          "reason": "every-contribution-a-gap"
        }
      }
    },
    "not_computed": [
      "climate-change"
    ],
    "pcf": [],
    "publishable": true,
    "result": {
      "classification": "partial",
      "gaps": 11,
      "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": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "key": "feed:SUCC",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "key": "product:BRINE",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "key": "consumable:rinse-water",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "n-bromosuccinimide-by-semi-batch-bromination-of-succinimide-in-aqueous-naoh-500-t-a",
      "key": "disposal:consumable.rinse-water",
      "link": "technosphere",
      "type": "output"
    }
  ],
  "maintainers": [
    {
      "name": "Artur Schweidtmann"
    }
  ],
  "maturity": "concept",
  "preliminary": true,
  "provenance": {
    "library_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "previews": {
      "sheets": [
        "BFD",
        "PFD"
      ],
      "source_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
      "tool": "cheme 1.6.0 (pyDEXPI 2.1.0)"
    },
    "previews_stale": false,
    "source_commit": "c3ab3488c602bc797fdc98feffd4578375150dd0"
  },
  "publication": {
    "license": "CC-BY-4.0",
    "status": "public"
  },
  "references": [
    {
      "title": "Waugh, T. D.; Waugh, R. C. (1961) US2971960A: Production of N-brominated imides and hydantoins (background: the caustic route, its NaBr by-product and washing losses; examples: filtration, ice-water wash, drying at 60 C)",
      "url": "https://patents.google.com/patent/US2971960A/en"
    },
    {
      "title": "PubChem CID 67184, N-Bromosuccinimide (identity; solubility in water 1.47 g per 100 g water at 25 C, HSDB record, section Solubility)",
      "url": "https://pubchem.ncbi.nlm.nih.gov/compound/67184"
    },
    {
      "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/n-bromosuccinimide-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 26897,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/n-bromosuccinimide-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 88892,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/n-bromosuccinimide-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: bromine (bromine-1) is dosed over 2 h into succinimide in cold caustic soda, the N-bromosuccinimide precipitates, is filtered, washed with ice water and vacuum-dried; half of the bromine leaves as NaBr in the mother liquor. Concept stage, assumed basis, 334 kg per batch every 5.3 h on a dedicated train, preliminary gate-to-gate LCI. The library's first batch entry.",
  "title": "N-Bromosuccinimide by semi-batch bromination of succinimide in aqueous NaOH (500 t/a)",
  "validation": {
    "notes": "Concept batch PFD with closed mass, component and element balances (cheme validate, cheme process streams: 3 blocks and 8 steps within tolerance). Every stream up to the dryer is calculated by cheme process propagate: the semi-batch R101 from its ASSUMED rate law, the precipitation and wash dissolution as conversion steps from the solubility of NBS, the filters as specified splits; scripts/balance.py repeats them and gives the dryer's outlets and the duties (no property package of core covers the alkaline bromide liquor, and core has no dryer). The recipe's year-average rate of the product agrees with the flowsheet (cheme process recipe, no cheme.recipe-basis finding). Thermal screening (cheme process reactor-hazards): dT_ad 19.7 K, accumulation 3.75 %, MTSR 278.9 K against an MTT of 331.9 K (the bromine's boiling point); no criticality class without a TD24 from calorimetry. The kinetics are assumed: the low accumulation rests on that assumption. Preliminary gate-to-gate LCI, the rinses between batches included (per-batch consumable); bromine and caustic soda linked to bromine-1 and chlor-alkali-1, the other backgrounds gaps. cheme maturity reaches no level (assumed feeds, kinetics and separations); the claim `maturity: concept` is the lowest value of the schema, not an evidenced level. Not reviewed. Needs cheme-as-code 1.7.0 (reactor: semibatch, process/recipe.yaml; core#158).",
    "status": "unreviewed"
  },
  "viewer": {
    "commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "dirty": false,
    "sheets": [
      "process/BFD.xml",
      "process/PFD.xml"
    ],
    "skipped": [],
    "snapshot": "snapshots/n-bromosuccinimide-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks"
    ]
  }
}