{ "authors": [], "basis": { "capacity": "500 t/a distilled iodomethane: 341.3 batches/a of 1465.15 kg in 7920 h on a dedicated train (63.13 kg/h year average), ASSUMED (DESIGN.md D-002, D-003, D-015)", "location": "generic fine-chemicals site with methanol and iodine supply (not chosen)", "operating_hours_per_year": 7920 }, "benchmarks": [ { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "expression": "feed:IOD / product:MEI", "family": "chlorinated-organics", "kpi": "mei-specific-iodine", "no_open_reference": "No open source with a plant's iodine use per kg of iodomethane found (searched 2026-11-05/06: Google Patents CN 114195616 B, the dataset's basis, gives charges and yields of 95-96 % without stating their basis; PubChem HSDB names the route without consumptions; Ullmann's chapters not read, licensed). Only the stoichiometric floor, 0.894 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": "Iodine consumption per kg of iodomethane (red phosphorus route)", "unit": "kg/kg", "value": null }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "expression": "feed:MEOH / product:MEI", "family": "chlorinated-organics", "kpi": "mei-specific-methanol", "no_open_reference": "No open source with a plant's methanol use per kg of iodomethane found (searched as for mei-specific-iodine): CN 114195616 B gives the charges of its examples, which the dataset takes as its ratio, so they are no independent reference. Only the stoichiometric floor, 0.226 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": "Methanol consumption per kg of iodomethane (red phosphorus route)", "unit": "kg/kg", "value": null } ], "chemistry": { "inputs": [ { "chemical": "iodine", "grade": null, "inventory_key": "feed:IOD", "note": "Iodine flakes (iodine-1, 99.8 wt% I2), 0.942 kg/kg iodomethane (stoichiometric 0.896)", "role": "feedstock" }, { "chemical": "methanol", "grade": null, "inventory_key": "feed:MEOH", "note": "Methanol (methanol-1, 500 ppm water), 0.394 kg/kg (stoichiometric 0.226; 66 % excess, CN 114195616 B, Example 1)", "role": "feedstock" }, { "chemical": "phosphorus", "grade": "red", "inventory_key": "feed:REDP", "note": "Red phosphorus (no library process; proxy from white phosphorus recorded, D-014), 0.097 kg/kg (stoichiometric 0.073; 27 % excess)", "role": "feedstock" }, { "chemical": "sodium-thiosulfate", "grade": null, "inventory_key": "feed:THIO", "note": "5 wt% sodium thiosulfate solution for the washes, 0.224 kg/kg (ASSUMED amount; no library process)", "role": "feedstock" }, { "chemical": "water", "grade": null, "inventory_key": "feed:PW", "note": "Process water for the washes, 0.447 kg/kg (ASSUMED amount)", "role": "feedstock" }, { "chemical": "nitrogen", "grade": null, "inventory_key": "consumable:nitrogen", "note": "Nitrogen (asu-1) for inerting and blanketing, 12.5 kg per batch, 8.5 g/kg (ASSUMED)", "role": "feedstock" }, { "chemical": "calcium-chloride", "grade": null, "inventory_key": "consumable:calcium-chloride", "note": "Calcium chloride of the dryer, 3.5 kg per batch, 2.4 g/kg (ASSUMED replacement)", "role": "feedstock" } ], "outputs": [ { "chemical": "iodomethane", "grade": null, "inventory_key": "product:MEI", "note": "Distilled iodomethane, 99.86 wt% (core's batch rectification on an ideal liquid, above CN 114195616 B's measured 99.5-99.7 %: a finding, the specification stays the patent's), 0.14 wt% methanol, 0.2 ppm water, to dark storage under nitrogen at 283 K", "role": "main-product" }, { "chemical": "phosphorous-acid", "grade": null, "inventory_key": "product:RES", "note": "Phosphorous acid residue with methanol, the excess red phosphorus and 1.4 % of the iodine, 0.311 kg/kg, to hazardous-waste treatment (the source describes none)", "role": "waste" }, { "chemical": "wastewater", "grade": null, "inventory_key": "product:WW", "note": "Thiosulfate and water wash liquors, 0.759 kg/kg, with methanol, sodium salts and dissolved iodomethane, to wastewater treatment", "role": "waste" } ], "utilities": [ { "chemical": "electricity", "grade": null, "inventory_key": "feed:POWER", "note": "0.086 kWh/kg: agitators of R-101, V-102 and C-104, the iodine feeder, the loop and transfer pumps, the vent fan (ASSUMED)", "role": "utility" }, { "chemical": "steam", "grade": null, "inventory_key": "feed:LPS", "note": "0.270 kWh/kg of LP steam 350 kPa(a) to the hot-water loops: the charge's warming, ST101 (its net boil-up from core's still model, its heat-up apart) and ST102's reboiler (the boil-up at the reflux and the charge's heat-up, from core's batch rectification)", "role": "utility" }, { "chemical": "cooling-water", "grade": null, "inventory_key": "product:CW", "note": "0.269 kWh/kg removed by cooling water: the overhead condenser E-101, the column's condenser, the residues' cooling", "role": "utility" }, { "chemical": "chilled-water", "grade": null, "inventory_key": "product:CHW", "note": "0.183 kWh/kg removed by chilled water at 278 K: R-101's jacket, the heat of reaction (from core's semi-batch model)", "role": "utility" }, { "chemical": "chilled-water", "grade": null, "inventory_key": "product:BRINE", "note": "0.0070 kWh/kg removed by brine at 258 K: the vent condenser E-102 and the product subcooler (the registry has chilled water, not brine: closest entry)", "role": "utility" } ] }, "description": "Methanol (methanol-1) and red phosphorus are charged to an enamelled reactor and warmed to\n313 K; iodine (iodine-1) is dosed into the slurry over 10 h through a closed solids feeder,\n6 CH3OH + 2 P + 3 I2 -> 6 CH3I + 2 H3PO3 through PI3, the batch route of CN 114195616 B\n(Examples 1-3: methanol, red phosphorus and iodine at about 4 : 1 : 10 by mass, total reflux at\n39-45 C, the crude distilled off up to 90 C into thiosulfate solution, washed, dried and\ndistilled to 99.5-99.7 %). The patent writes phosphoric acid as the by-product; this entry takes\nphosphorous acid, as the PI3 the patent names gives it (DESIGN.md D-004). The reactor runs at the\nend mass's measured reflux temperature under a reflux condenser, on a chilled-water jacket. The crude\niodomethane (92 wt%, with methanol) is distilled off the phosphorous acid residue in the same\nvessel into sodium thiosulfate solution, washed twice with thiosulfate and twice with water,\ndried to 100 ppm water and distilled in a still with a short column; every vent goes through a\nbrine condenser to an activated-carbon adsorber. Product 99.86 wt% iodomethane, predicted by\ncore's batch rectification on an ideal liquid (a rigorous column would give at least this, the\nreal liquid, with a possible azeotrope with methanol, may give less): above the patent's measured\n99.5-99.7 %, a finding, not a design claim; the specification stays the patent's.\nYield 95.01 % of theory on the iodine, inside the patent's 95-96 % (no basis stated) and an\nASSUMED upper bound; the residue (0.31 kg per kg),\nthe wash liquors and the adsorber take the rest of the iodine, whose recovery is a gap.\n\nThe batch is modelled with cheme-as-code's semi-batch reactor with a solid reactant and a vent\n(reactor: semibatch, batch.vent, core ADRs 0050 and 0054), a batch still off the residue\n(still:, one Rayleigh stage, ADR 0055), a batch rectification of the dried crude (still.column,\n5 theoretical stages at a reflux ratio of 2, ASSUMED, with the charge's heat-up, ADRs 0061,\n0063) and the batch recipe (process/recipe.yaml with units over several\nsteps, ADRs 0051, 0052, 0057): the dosing, post-reaction, warming, heat-up and distillation times\ncome from the models (ST102's heat-up from its model's energy at the reboiler's duty), the reactor is the bottleneck (cycle 23.2 h, 341.3 batches a year), the recipe\nsizes it (1.6 m3) and checks its jacket, and the flowsheet's flows are the recipe's year\naverages. The semi-batch and the stills write their own duties, the column's reboiler and condenser too (ADRs 0059, 0061), and the screening\ngives the MTSR over the batch and the gas released at the MTSR against the vent (ADR 0058). The\nwashes and the drying are specified splits until core has a liquid-liquid model with sourced\npairs; a single still stage would give 99.40 wt%, below the patent, the column on the ideal\nliquid 99.86 wt%, above it (D-016). The kinetics are ASSUMED: the iodine accumulates\nto 2.28 % at the end of the dosing, and the cooling-failure temperature (322.6 K) lies 9.4 K\nabove the boiling point at which the reactor runs, so a cooling failure boils iodomethane off\ninto the reflux condenser (26 to 53 kW), which is designed for it. See DESIGN.md for every\nassumption.\n", "design_basis": { "assumptions": [ "Route of CN 114195616 B (Examples 1-3): red phosphorus and methanol, iodine, the reaction at total reflux at 39-45 C, the crude distilled off up to 90 C, washed with sodium thiosulfate solution and water, dried over calcium chloride and a 4A molecular sieve, distilled (D-001).", "By-product phosphorous acid (6 CH3OH + 2 P + 3 I2 -> 6 CH3I + 2 H3PO3), not the phosphoric acid the patent writes (D-004).", "The iodine is dosed as a solid over 10 h through a closed feeder, not carried in by the reflux through an iodine tank as in the source (D-004).", "ASSUMED rate law, first order in iodine and of order 2/3 in the red phosphorus, k 5.1e-4 (m3/kmol)^(2/3)/s at 316 K, Ea 60 kJ/mol; heat of reaction -540 kJ per 3 mol iodine from CRC formation enthalpies (D-005).", "First still (in R-101): constant relative volatility, iodomethane 6 to methanol (ASSUMED); final still: core's batch rectification ST102 with K-104, 5 theoretical stages at a reflux ratio of 2 (ASSUMED), Raoult's law with NIST Antoine constants (D-007, D-010, D-016).", "Washes and drying are specified splits: methanol distribution 5, iodomethane at its water solubility, the organic saturated with 0.1 wt% water, dried to 100 ppm (D-008, D-009).", "All flows are year averages of the recipe (D-003); the duties and power concept estimates (scripts/balance.py, D-011); accuracy +/-30 % not demonstrated." ], "source": "process/design-basis.yaml" }, "engineering": { "description": "Iodomethane from methanol, red phosphorus and iodine, semi-batch under reflux, batch distillation off the residue, washes, drying and batch distillation, a batch plant, concept stage (issue ChemE-as-Code/process-library#163)", "name": "Iodomethane", "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", "distillation", "washing", "adsorption" ] }, "families": [ "chlorinated-organics" ], "gap_count": 14, "gates": null, "id": "iodomethane-1", "issues": { "closed_count": 0, "list_url": "https://github.com/ChemE-as-Code/process-library/issues?q=is%3Aissue%20label%3A%22process%3Aiodomethane-1%22", "new": { "action": "https://github.com/ChemE-as-Code/process-library/issues/new?template=1-action-item.yml&labels=process%3Aiodomethane-1&process=iodomethane-1", "change": "https://github.com/ChemE-as-Code/process-library/issues/new?template=4-design-change.yml&labels=process%3Aiodomethane-1&process=iodomethane-1", "hold": "https://github.com/ChemE-as-Code/process-library/issues/new?template=2-engineering-hold.yml&labels=process%3Aiodomethane-1&process=iodomethane-1", "process": "https://github.com/ChemE-as-Code/process-library/issues/new?template=6-process-development.yml&labels=process%3Aiodomethane-1&process=iodomethane-1", "tq": "https://github.com/ChemE-as-Code/process-library/issues/new?template=3-technical-query.yml&labels=process%3Aiodomethane-1&process=iodomethane-1", "tracker": "https://github.com/ChemE-as-Code/process-library/issues/new?template=7-process-tracker.yml&labels=process%3Aiodomethane-1&process=iodomethane-1" }, "open": [], "open_by_gate": {}, "open_count": 0, "private": false, "repository": "ChemE-as-Code/process-library" }, "keywords": [ "iodomethane", "methyl iodide", "methanol", "iodine", "red phosphorus", "phosphorus triiodide", "PI3", "phosphorous acid", "semi-batch", "batch", "dosing", "solid reactant", "reflux", "batch distillation", "sodium thiosulfate", "washing", "drying", "thermal screening", "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": "iodomethane", "grade": null, "label": "1 kg iodomethane (methyl iodide)", "product": "MEI", "product_name": "Iodomethane (methyl iodide)", "product_title": "Iodomethane to storage", "unit": "kg" }, "goal": "Preliminary gate-to-gate life cycle inventory of iodomethane made by dosing iodine into a slurry of red phosphorus in methanol under reflux, distilling the crude off the phosphorous acid residue, washing it with sodium thiosulfate solution and water, drying it over calcium chloride and a 4A molecular sieve and distilling it, at the concept stage: which raw materials, utilities and wastes the batch plant exchanges per kg of iodomethane, as the foreground for a later cradle-to-gate study. No impact results: most backgrounds are not mapped yet (D-014).", "inventory": [ { "direction": "input", "key": "feed:MEOH", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.3939, "title": "Methanol (methanol-1)", "unit": "kg" }, { "direction": "input", "key": "feed:REDP", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.0974347, "title": "Red phosphorus (no library process)", "unit": "kg" }, { "direction": "input", "key": "feed:IOD", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.941617, "title": "Iodine (iodine-1)", "unit": "kg" }, { "direction": "input", "key": "feed:THIO", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.223711, "title": "Sodium thiosulfate solution (5 wt%; no library process)", "unit": "kg" }, { "direction": "input", "key": "feed:PW", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.447422, "title": "Process water (wash)", "unit": "kg" }, { "direction": "input", "key": "feed:POWER", "kind": "energy", "phase": "operation", "provenance": "assumed", "quantity": 0.0857306, "title": "Electric power", "unit": "kWh" }, { "direction": "input", "key": "feed:LPS", "kind": "energy", "phase": "operation", "provenance": "assumed", "quantity": 0.270236, "title": "LP steam 350 kPa(a) (to the hot-water loops)", "unit": "kWh" }, { "direction": "output", "key": "product:MEI", "kind": "material", "phase": "operation", "provenance": "calculated", "quantity": 1.0, "title": "Iodomethane to storage", "unit": "kg" }, { "direction": "output", "key": "product:RES", "kind": "material", "phase": "operation", "provenance": "calculated", "quantity": 0.310647, "title": "Phosphorous acid residue (with methanol and red phosphorus) to treatment", "unit": "kg" }, { "direction": "output", "key": "product:RES2", "kind": "material", "phase": "operation", "provenance": "calculated", "quantity": 0.0302058, "title": "Final still residue to hazardous-waste incineration", "unit": "kg" }, { "direction": "output", "key": "product:WW", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.758555, "title": "Wash liquors (thiosulfate and water washes) to wastewater treatment", "unit": "kg" }, { "direction": "output", "key": "product:SPENT", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.000928063, "title": "Water taken up by the spent calcium chloride and sieve", "unit": "kg" }, { "direction": "output", "key": "product:VENT", "kind": "material", "phase": "operation", "provenance": "calculated", "quantity": 0.00375028, "title": "Vent gas (nitrogen with iodomethane vapour) to the activated-carbon adsorber", "unit": "kg" }, { "direction": "output", "key": "product:CW", "kind": "energy", "phase": "operation", "provenance": "assumed", "quantity": 0.269156, "title": "Cooling water return", "unit": "kWh" }, { "direction": "output", "key": "product:CHW", "kind": "energy", "phase": "operation", "provenance": "calculated", "quantity": 0.18333, "title": "Chilled water return (283 K)", "unit": "kWh" }, { "direction": "output", "key": "product:BRINE", "kind": "energy", "phase": "operation", "provenance": "assumed", "quantity": 0.00702185, "title": "Chilled brine return (263 K)", "unit": "kWh" }, { "direction": "input", "key": "consumable:nitrogen", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.00853151, "title": "Nitrogen for inerting R-101 and the phosphorus tank and blanketing the work-up", "unit": "kg" }, { "direction": "input", "key": "consumable:calcium-chloride", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.00238882, "title": "Calcium chloride of the dryer A-103", "unit": "kg" }, { "direction": "output", "key": "disposal:consumable.calcium-chloride", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.00238882, "title": "Disposal: Calcium chloride of the dryer A-103 (the spent calcium chloride (with its water and some iodomethane) to hazardous-waste disposal (D-009))", "unit": "kg" }, { "direction": "input", "key": "consumable:molecular-sieve", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.00204756, "title": "4A molecular sieve of the dryer A-103", "unit": "kg" }, { "direction": "output", "key": "disposal:consumable.molecular-sieve", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.00204756, "title": "Disposal: 4A molecular sieve of the dryer A-103 (the spent sieve to hazardous-waste disposal (D-009))", "unit": "kg" }, { "direction": "input", "key": "consumable:activated-carbon", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.0187693, "title": "Activated carbon of the vent adsorber X-106", "unit": "kg" }, { "direction": "output", "key": "disposal:consumable.activated-carbon", "kind": "material", "phase": "operation", "provenance": "assumed", "quantity": 0.0187693, "title": "Disposal: Activated carbon of the vent adsorber X-106 (the spent carbon with its iodomethane to incineration with flue-gas scrubbing, or to off-site regeneration with iodomethane recovery (a variant) (D-012))", "unit": "kg" } ], "no_total": { "baseline": { "climate-change": { "gaps": 22, "reason": "every-contribution-a-gap" } } }, "not_computed": [ "climate-change" ], "pcf": [], "publishable": true, "result": { "classification": "partial", "gaps": 22, "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": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "feed:REDP", "link": "technosphere", "type": "input" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "feed:THIO", "link": "technosphere", "type": "input" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:RES", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:RES2", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:SPENT", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:VENT", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:CHW", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "product:BRINE", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "consumable:calcium-chloride", "link": "technosphere", "type": "input" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "disposal:consumable.calcium-chloride", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "consumable:molecular-sieve", "link": "technosphere", "type": "input" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "disposal:consumable.molecular-sieve", "link": "technosphere", "type": "output" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "consumable:activated-carbon", "link": "technosphere", "type": "input" }, { "dataset": "iodomethane-from-methanol-red-phosphorus-and-iodine-batch-reflux-reaction-and-batch-distillation-500-t-a", "key": "disposal:consumable.activated-carbon", "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": "CN 114195616 B: preparation method of methyl iodide (Examples 1-3: red phosphorus, methanol and iodine; the iodine carried in by the reflux through an iodine tank; total reflux at 39-45 C; the crude distilled off up to 90 C into sodium thiosulfate solution, washed, dried over calcium chloride and a 4A sieve, distilled; purity 99.5-99.7 %, water below 80-200 ppm, yield 95-96 % with no basis stated)", "url": "https://patents.google.com/patent/CN114195616B/en" }, { "title": "PubChem CID 6328, methyl iodide (HSDB: water solubility, density, heat of vaporization, light sensitivity, methods of manufacturing)", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/6328" }, { "title": "PubChem CID 807, iodine (HSDB: solubility in methanol)", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/807" }, { "title": "NIST Chemistry WebBook, SRD 69: iodomethane, methanol, iodine, water (Antoine constants, heats of vaporization, boiling points)", "url": "https://webbook.nist.gov/chemistry/" }, { "title": "Wikipedia, Allotropes of phosphorus (red phosphorus: formation enthalpy, preparation, ignition)", "url": "https://en.wikipedia.org/wiki/Allotropes_of_phosphorus" }, { "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/iodomethane-1", "url": "https://github.com/ChemE-as-Code/process-library" }, "representations": [ { "bytes": 46814, "id": "BFD", "kind": "bfd", "preview": "artifacts/iodomethane-1/BFD.svg", "source": "process/BFD.xml", "status": "preview", "title": "Block flow diagram" }, { "bytes": 166972, "id": "PFD", "kind": "pfd", "preview": "artifacts/iodomethane-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": "A batch plant: iodine is dosed over 10 h into red phosphorus in methanol at its reflux temperature; the crude iodomethane is distilled off the residue, washed, dried and distilled. Concept stage, 1465 kg per batch every 23.2 h, thermal screening, preliminary LCI.", "title": "Iodomethane from methanol, red phosphorus and iodine, batch reflux reaction and batch distillation (500 t/a)", "validation": { "notes": "Concept batch PFD with closed mass, component and element balances (cheme validate, cheme process streams: 5 blocks and 15 steps within tolerance). The semi-batch R101 with the red phosphorus as a solid reactant and a vent (from its ASSUMED rate law), the still ST101 (constant relative volatility, ASSUMED), the batch rectification ST102 (5 theoretical stages at a reflux ratio of 2, Raoult's law with NIST Antoine constants, the ideal liquid ASSUMED; its reboiler and condenser duties written), the thiosulfate's reduction of the iodine and the mixers are calculated by cheme process propagate; scripts/balance.py gives the feeds for 500 t/a, the washes' and the drying's splits, the vent fraction, the temperatures of the mixed streams, the duties the models do not write and the powers. The recipe's year-average rate of the product agrees with the flowsheet (no cheme.recipe-basis finding); the recipe sizes R-101 (1.6 m3), its jacket check passes against the log-mean chilled-water temperature, and the stills' times come from their boil-ups. Thermal screening (cheme process reactor-hazards): dT_ad 520.1 K, accumulation 2.28 %, MTSR 322.6 K against an MTT of 313.15 K (hazard.mtt: the end mass's measured temperature at total reflux, CN 114195616 B; 16 K below its ideal-liquid bubble point), so the MTSR lies above it (cheme.reactor-hazard-mtsr, a design finding of a reactor at reflux); no criticality class without a TD24 (3, 4 or 5). With k/10 the MTSR is 378.7 K, with k/100 603.8 K (DESIGN.md D-006). At the MTSR a cooling failure releases 0.19 m3/h of gas, within R-101's vent of 20 m3/h (ASSUMED); the iodomethane it boils off at the MTT, 84 to 172 m3/h, is for the reflux condenser E-101 to condense (a design finding). Preliminary gate-to-gate LCI with the per-batch nitrogen, desiccants and activated carbon; the methanol linked to methanol-1, the iodine to iodine-1 and the nitrogen to asu-1, red phosphorus and sodium thiosulfate gaps with recorded proxies, 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 1.10.0.", "status": "unreviewed" }, "viewer": { "commit": "a3c52e472f42fbc8cdacfeacf5ef28703c004174", "dirty": false, "sheets": [ "process/BFD.xml", "process/PFD.xml" ], "skipped": [], "snapshot": "snapshots/iodomethane-1/", "stale": false, "tool": "cheme-as-code 1.6.0", "views": [ "checks" ] } }