{
  "authors": [],
  "basis": {
    "capacity": "50 kt/a DMF (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8000
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "dimethylamine",
        "grade": null,
        "note": "feed:DMA: anhydrous dimethylamine (e.g. methylamines-1), 0.624 kg/kg DMF",
        "role": "feedstock"
      },
      {
        "chemical": "carbon-monoxide",
        "grade": null,
        "note": "feed:CO: carbon monoxide 99.5 mol% from a syngas CO separation unit, 0.407 kg/kg",
        "role": "feedstock"
      },
      {
        "chemical": "sodium-methoxide",
        "grade": null,
        "note": "feed:CAT: catalyst: sodium methoxide 30 wt% in methanol, counted by mass of the solution",
        "role": "feedstock"
      },
      {
        "chemical": "nitrogen",
        "grade": null,
        "note": "N2 impurity of the CO feed (0.3 mol%, ASSUMED); the feed itself is carbon monoxide 99.5 mol% and the main raw material is dimethylamine (feed:DMA), both listed above",
        "role": "feedstock"
      },
      {
        "chemical": "hydrogen",
        "grade": null,
        "note": "H2 impurity of the CO feed (0.2 mol%, ASSUMED)",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "dimethylformamide",
        "grade": null,
        "inventory_key": "product:DMFP",
        "note": "DMF product to storage",
        "role": "main-product"
      },
      {
        "chemical": "nitrogen",
        "grade": null,
        "note": "Inerts of the CO feed in the reactor vent (product:VENT, to a thermal oxidiser, a waste exchange)",
        "role": "emission"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "CO compressor, pumps, vacuum system (ASSUMED electric drives)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:MPS",
        "note": "MP steam 1100 kPa(a), methanol/DMA recovery column reboiler",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "LP steam 450 kPa(a), DMF finishing column reboiler",
        "role": "utility"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "Anhydrous dimethylamine and a sodium methoxide solution in methanol are mixed with the\nrecovered methanol/DMA recycle and fed to a liquid-phase loop reactor that takes up CO\n(90 C, 22 bar; conversion 98.5 % of the DMA per pass and 95 % of the CO to DMF, as in the\nopen patent US 4,098,820). At the end of the reaction the catalyst is converted under CO to\ninsoluble sodium formate and dimethyl ether (the mechanism of US 4,354,041); the vent takes\nthe excess CO, inerts and the ether to a thermal oxidiser. The salt is filtered, methanol\nand DMA are distilled off and recycled with a small purge, and DMF is distilled overhead\nunder vacuum away from a heavy residue.\n\nAll values are concept estimates. The reactor rests on sourced conversions (no kinetics);\nthe separator and column splits and the duties are short-cut values from an independent\nscript, because no property package of ChemE-as-Code covers DMF, methanol, DMA and sodium\nsalts yet. See DESIGN.md for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "Reactor 363.15 K and 2200 kPa(a), DMA conversion 98.5 % per pass, 95 mol% of the CO fed ends in DMF: US 4,098,820 Example 1 (given; D-005). The rest of the CO is vented (methyl formate formation not modelled, ASSUMED).",
      "ASSUMED DMA:methanol 2.3:1 by weight in the reactor feed, from US 4,098,820 Example 1 (D-005).",
      "ASSUMED catalyst fully deactivated in situ to sodium formate and dimethyl ether (US 4,354,041 mechanism), 99 % of the salt filtered, wet cake 25 wt% liquor (D-007, D-008).",
      "ASSUMED all CO, N2, H2 and DME leave in the reactor vent with 3 mol% methanol, 0.2 mol% DMA and 0.2 mol% DMF; nothing dissolved flashes later (D-008).",
      "ASSUMED sharp splits in C-201 (all DMA and methanol overhead except the product's 100 ppm methanol; 0.1 % of the DMF overhead) and C-202 (1 % of its DMF feed to the residue), reflux ratios 1.0 and 0.5 (D-009).",
      "ASSUMED compressor isentropic efficiency 0.75, pump efficiency 0.6, liquid heat capacity 2.2 kJ/(kg K); loop pump 30 kW, column pumps and vacuum 25 kW (D-010).",
      "ASSUMED dry feeds: no water, no CO2, no methyl formate, no formic acid, no trimethylamine in the model (D-004, D-005).",
      "All flows and duties are concept estimates from a short-cut balance (scripts/dmf_balance.py), not a qualified simulation; accuracy not stated (D-006)."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "N,N-Dimethylformamide by one-step carbonylation of dimethylamine with CO (sodium methoxide in methanol), catalyst removal and distillation; concept design, issue ChemE-as-Code/process-library#127",
    "name": "N,N-Dimethylformamide",
    "requires": "cheme-as-code>=0.8",
    "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"
    ],
    "product_classes": [
      "chemicals"
    ],
    "region": "generic",
    "unit_operations": [
      "compression",
      "reaction",
      "filtration",
      "distillation"
    ]
  },
  "families": [
    "nitrogen-organics"
  ],
  "gap_count": 6,
  "gates": null,
  "id": "dmf-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Admf-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Admf-1&process=dmf-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Admf-1&process=dmf-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Admf-1&process=dmf-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Admf-1&process=dmf-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Admf-1&process=dmf-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Admf-1&process=dmf-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "dimethylformamide",
    "DMF",
    "dimethylamine",
    "carbon monoxide",
    "carbonylation",
    "sodium methoxide",
    "methanol",
    "solvent",
    "distillation"
  ],
  "lca": {
    "allocation": null,
    "backend": "factors",
    "boundary": "gate-to-gate",
    "categories": [
      {
        "id": "climate-change",
        "method": "GWP100",
        "title": "Climate change",
        "unit": "kg CO2-eq"
      }
    ],
    "data_sources": [],
    "factors_status": "none",
    "functional_unit": {
      "amount": 1,
      "chemical": "dimethylformamide",
      "grade": null,
      "label": "1 kg N,N-Dimethylformamide",
      "product": "DMFP",
      "product_name": "N,N-Dimethylformamide",
      "product_title": "DMF product to storage",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of N,N-dimethylformamide by one-step carbonylation of dimethylamine, for the concept stage: which raw materials, utilities, wastes and emissions one kg of DMF needs, traceable to the flowsheet streams. No impact result is claimed: the backgrounds are connected in a later stage.",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:DMA",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.624378,
        "title": "Dimethylamine, anhydrous (from methylamines-1)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:CO",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.407352,
        "title": "Carbon monoxide 99.5 mol% (from a syngas CO separation unit)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:CAT",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0158384,
        "title": "Sodium methoxide 30 wt% in methanol (catalyst)",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.043136,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:MPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.20784,
        "title": "MP steam 1100 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.22288,
        "title": "LP steam 450 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:DMFP",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.0,
        "title": "DMF product to storage",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:VENT",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.0221392,
        "title": "Reactor vent gas to thermal oxidiser",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CAKE",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.00789557,
        "title": "Sodium formate filter cake to disposal",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:PURGE",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.007372,
        "title": "Methanol purge (with DMA) to recovery or incineration",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:RESID",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.01016,
        "title": "Heavy residue of the DMF column to incineration",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.88112,
        "title": "Cooling water return",
        "unit": "kWh"
      }
    ],
    "not_computed": [],
    "publishable": false,
    "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"
    ],
    "values_withheld": "stale-run-manifest",
    "withheld_reason": "stale-run-manifest"
  },
  "lci_gaps": [
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "feed:CO",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "feed:CAT",
      "link": "technosphere",
      "type": "input"
    },
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "product:VENT",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "product:CAKE",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "product:PURGE",
      "link": "technosphere",
      "type": "output"
    },
    {
      "dataset": "n-n-dimethylformamide-by-dma-carbonylation-50-kt-a",
      "key": "product:RESID",
      "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": "US 4,098,820 A (1978) Process for the production of formamides (UCB SA)",
      "url": "https://patents.google.com/patent/US4098820A/en"
    },
    {
      "title": "US 4,354,041 A (1982) Method for deactivating catalyst in preparation of dimethylformamide from dimethylamine and carbon monoxide (E. I. du Pont)",
      "url": "https://patents.google.com/patent/US4354041A/en"
    },
    {
      "title": "US 4,302,598 A (1981) Recycling catalyst in preparation of dimethylformamide from dimethylamine and carbon monoxide (E. I. du Pont)",
      "url": "https://patents.google.com/patent/US4302598A/en"
    },
    {
      "doi": "10.1002/14356007.a12_001.pub2",
      "title": "Formamides. Ullmann's Encyclopedia of Industrial Chemistry (identity checked, not audited)"
    },
    {
      "title": "NIST Chemistry WebBook, SRD 69 (DMF and dimethylamine thermochemistry)",
      "url": "https://webbook.nist.gov"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/dmf-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 33126,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/dmf-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 116442,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/dmf-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": "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": "One-step liquid-phase carbonylation of dimethylamine with CO in methanol on a sodium methoxide catalyst, in-situ catalyst deactivation and salt filtration, methanol/DMA recovery with recycle and vacuum finishing of DMF. Concept stage, assumed basis, preliminary gate-to-gate LCI.",
  "title": "N,N-Dimethylformamide by carbonylation of dimethylamine (50 kt/a, sodium methoxide in methanol)",
  "validation": {
    "notes": "Concept PFD with closed mass and component balances in every block and step and element-balanced reactions (cheme validate, cheme process streams). cheme maturity reaches no level: the capacity and feed flows are assumed (no published plant basis), the catalyst deactivation conversion is assumed, and the separator, filter and column splits are specified values from scripts/dmf_balance.py. Energy closure is evaluable for the CO compressor only (closed); the liquid units are gated on a qualified polar property package. Not reviewed. Main products and feeds are listed under chemistry with their chemicals registry entries (issue #251).",
    "status": "unreviewed"
  },
  "viewer": {
    "commit": "c3ab3488c602bc797fdc98feffd4578375150dd0",
    "dirty": false,
    "sheets": [
      "process/BFD.xml",
      "process/PFD.xml"
    ],
    "skipped": [],
    "snapshot": "snapshots/dmf-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}