{
  "authors": [],
  "basis": {
    "capacity": "2500 t/d Grade AA methanol (ASSUMED)",
    "location": "generic (not chosen)",
    "operating_hours_per_year": 8400
  },
  "benchmarks": [],
  "chemistry": {
    "inputs": [
      {
        "chemical": "hydrogen",
        "grade": null,
        "note": "H2 of the make-up synthesis gas feed:SYNGAS (68 mol%, ASSUMED)",
        "role": "feedstock"
      },
      {
        "chemical": "carbon-monoxide",
        "grade": null,
        "note": "CO of the make-up synthesis gas feed:SYNGAS (21.5 mol%, ASSUMED)",
        "role": "feedstock"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "note": "CO2 of the make-up synthesis gas feed:SYNGAS (7.5 mol%, ASSUMED)",
        "role": "feedstock"
      },
      {
        "chemical": "methane",
        "grade": null,
        "note": "Unconverted methane of the make-up gas feed:SYNGAS (2.5 mol%, ASSUMED), an inert of the loop, leaves with the purge",
        "role": "feedstock"
      }
    ],
    "outputs": [
      {
        "chemical": "methanol",
        "grade": null,
        "inventory_key": "product:MEOH",
        "note": "Grade AA methanol to storage, 2500 t/d design basis (2490 t/d in the DWSIM run, D-014)",
        "role": "main-product"
      },
      {
        "chemical": "water",
        "grade": null,
        "inventory_key": "product:WW",
        "note": "Refining column bottoms water, 100 ppm(wt) methanol (ASSUMED)",
        "role": "waste"
      },
      {
        "chemical": "carbon-dioxide",
        "grade": null,
        "note": "CO2 of the flash gas and topping-column off-gas, to the fuel gas header (product:FUELGAS)",
        "role": "emission"
      }
    ],
    "utilities": [
      {
        "chemical": "electricity",
        "grade": null,
        "inventory_key": "feed:POWER",
        "note": "Make-up compressor and circulator (ASSUMED electric drives)",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "inventory_key": "feed:LPS",
        "note": "LP steam 450 kPa(a) to the column reboilers",
        "role": "utility"
      },
      {
        "chemical": "steam",
        "grade": null,
        "note": "MP steam 2800 kPa(a) raised in the converter (product:MPS)",
        "role": "co-product"
      },
      {
        "chemical": "cooling-water",
        "grade": null,
        "inventory_key": "product:CW",
        "note": "25/35 C (ASSUMED)",
        "role": "utility"
      }
    ]
  },
  "description": "The make-up synthesis gas (an assumed combined-reforming gas, stoichiometric number 2.09) is\ncompressed to the loop pressure and joins the recycle gas at the circulator. The converter\noutlet is modelled as chemical equilibrium of CO hydrogenation and water-gas shift (CO2\nhydrogenation is their sum) 10 K above the outlet temperature, with Peng-Robinson fugacity:\na model basis, not kinetics. The crude methanol is condensed and separated at loop pressure,\na purge removes the inerts, and the crude is flashed, stabilised in a topping column and\nrefined to Grade AA in a refining column.\n\nAll values are concept estimates. The stream values and duties downstream of the make-up gas\ncome from a converged DWSIM simulation (Peng-Robinson), cross-checked against an independent\nbalance script; the property method is not qualified for this mixture by ChemE-as-Code yet.\nSee DESIGN.md of the engineering files (D-014) for every assumption and gated step.\n",
  "design_basis": {
    "assumptions": [
      "ASSUMED loop: boiling-water (isothermal) converter on Cu/ZnO/Al2O3, inlet 498.15 K and 8100 kPa(a), outlet 528.15 K and 7900 kPa(a) (D-003).",
      "ASSUMED converter outlet at chemical equilibrium of CO hydrogenation and water-gas shift evaluated 10 K above the outlet temperature, Peng-Robinson fugacity; a model basis, not kinetics (D-005).",
      "ASSUMED recycle ratio 4 (recycle/make-up, molar); the purge fraction follows from it (D-007).",
      "ASSUMED HP separator 313.15 K, 7500 kPa(a); LP flash 600 kPa(a) (D-008).",
      "ASSUMED topping column reflux 0.3 kmol per kmol feed, refining column reflux ratio 1.5, bottoms 100 ppm(wt) methanol (D-008).",
      "ASSUMED compressor isentropic efficiency 0.75 (D-010).",
      "ASSUMED no by-products (DME, higher alcohols, methyl formate, ketones): not modelled until sourced selectivities exist (D-005).",
      "All flows, temperatures and duties are concept estimates from an unqualified property method (D-006); accuracy not stated."
    ],
    "source": "process/design-basis.yaml"
  },
  "engineering": {
    "description": "Methanol synthesis loop and crude-methanol purification, 2500 t/d Grade AA, with make-up synthesis gas from a natural-gas reformer outside the boundary (issue ChemE-as-Code/process-library#118)",
    "name": "Methanol synthesis loop and purification",
    "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",
      "fuels"
    ],
    "region": "generic",
    "unit_operations": [
      "compression",
      "reaction",
      "heat-exchange",
      "flash",
      "distillation"
    ]
  },
  "families": [
    "methanol"
  ],
  "gap_count": 1,
  "gates": null,
  "id": "methanol-1",
  "issues": {
    "closed_count": 0,
    "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Amethanol-1%22",
    "new": {
      "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Amethanol-1&process=methanol-1",
      "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Amethanol-1&process=methanol-1",
      "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Amethanol-1&process=methanol-1",
      "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Amethanol-1&process=methanol-1",
      "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Amethanol-1&process=methanol-1",
      "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Amethanol-1&process=methanol-1"
    },
    "open": [],
    "open_by_gate": {},
    "open_count": 0,
    "private": false,
    "repository": "ChemE-as-Code/process-library"
  },
  "keywords": [
    "methanol",
    "synthesis gas",
    "syngas",
    "Cu/ZnO",
    "synthesis loop",
    "boiling-water converter",
    "purge",
    "crude methanol",
    "distillation",
    "Grade AA"
  ],
  "lca": {
    "allocation": "exergy",
    "backend": "factors",
    "boundary": "gate-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": "methanol",
      "grade": null,
      "label": "1 kg methanol",
      "product": "MEOH",
      "product_name": "Methanol",
      "product_title": "Methanol Grade AA to storage",
      "unit": "kg"
    },
    "goal": "Preliminary gate-to-gate life cycle inventory of Grade AA methanol from the synthesis loop and purification (make-up synthesis gas at the battery limit, reforming outside), at concept stage: the foreground exchanges per kg of methanol, ready to be linked to background datasets in the next stage (DESIGN.md D-015). Flows are concept estimates; backgrounds are unmapped gaps.",
    "inventory": [
      {
        "direction": "input",
        "key": "feed:SYNGAS",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 1.2038,
        "title": "Make-up synthesis gas from reforming",
        "unit": "kg"
      },
      {
        "direction": "input",
        "key": "feed:POWER",
        "kind": "energy",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.17342,
        "title": "Electric power",
        "unit": "kWh"
      },
      {
        "direction": "input",
        "key": "feed:LPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.925903,
        "title": "LP steam 450 kPa(a)",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:MEOH",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.0,
        "title": "Methanol Grade AA to storage",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:PURGE",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.0948806,
        "title": "Loop purge to reformer fuel",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:FUELGAS",
        "kind": "material",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.0345784,
        "title": "LP flash gas and topping-column off-gas to fuel gas",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:WW",
        "kind": "material",
        "phase": "operation",
        "provenance": "assumed",
        "quantity": 0.126602,
        "title": "Refining column bottoms water",
        "unit": "kg"
      },
      {
        "direction": "output",
        "key": "product:MPS",
        "kind": "energy",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 0.63003,
        "title": "MP steam raised in the converter (2800 kPa(a))",
        "unit": "kWh"
      },
      {
        "direction": "output",
        "key": "product:CW",
        "kind": "energy",
        "phase": "operation",
        "provenance": "calculated",
        "quantity": 1.55089,
        "title": "Cooling water return",
        "unit": "kWh"
      }
    ],
    "no_total": {
      "baseline": {
        "climate-change": {
          "gaps": 5,
          "reason": "every-contribution-a-gap"
        }
      }
    },
    "not_computed": [
      "climate-change"
    ],
    "pcf": [],
    "publishable": true,
    "result": {
      "classification": "partial",
      "gaps": 5,
      "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": "methanol-synthesis-loop-and-purification-2500-t-d-grade-aa",
      "key": "feed:SYNGAS",
      "link": "technosphere",
      "type": "input"
    }
  ],
  "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": [
    {
      "doi": "10.1002/14356007.a16_465.pub3",
      "title": "Ott, J. et al. (2012) Methanol. Ullmann's Encyclopedia of Industrial Chemistry"
    }
  ],
  "repository": {
    "access": "public",
    "path": "processes/methanol-1",
    "url": "https://github.com/ChemE-as-Code/process-library"
  },
  "representations": [
    {
      "bytes": 27896,
      "id": "BFD",
      "kind": "bfd",
      "preview": "artifacts/methanol-1/BFD.svg",
      "source": "process/BFD.xml",
      "status": "preview",
      "title": "Block flow diagram"
    },
    {
      "bytes": 113839,
      "id": "PFD",
      "kind": "pfd",
      "preview": "artifacts/methanol-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": "Low-pressure methanol synthesis loop on Cu/ZnO/Al2O3 with a boiling-water converter, recycle and purge, and two-column distillation to Grade AA methanol; make-up synthesis gas from a natural-gas reformer outside the boundary. Concept stage, assumed basis.",
  "title": "Methanol synthesis loop and purification (2500 t/d Grade AA, natural-gas syngas)",
  "validation": {
    "notes": "Concept PFD with closed mass, component and element balances (cheme validate, cheme process streams). cheme maturity reaches no level yet: the make-up gas composition and the capacity are assumed (no sourced or owner-given feed). The flowsheet is simulated in DWSIM (cheme process simulate, Peng-Robinson; converged, run record process/simulation-run.json, D-014): equilibrium converter, flashes and shortcut columns; the loop agrees with the independent script (scripts/loop_balance.py) within 2.5 %, CO2 solubility in the crude and the column duties differ more. The make-up gas sized by the script for 2500 t/d gives 2490 t/d of product in the simulation (S18 flow is the simulated one, D-014). The property package is not qualified for methanol-water-syngas (predictive.property-regime fails), and the converter's MP steam level fails the utility check against its feed temperature (D-014). Not reviewed. Preliminary gate-to-gate LCI in lca/, marked preliminary with its gap in the Atlas build (DESIGN.md D-015). 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/methanol-1/",
    "stale": false,
    "tool": "cheme-as-code 1.6.0",
    "views": [
      "checks",
      "streams"
    ]
  }
}