{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://scischema.org/schemas/materials/catalytic-pyrolysis/1.0.0/master-schema.json",
  "version": "1.0.0",
  "title": "Catalytic Pyrolysis of Mixed Plastic Waste Process Schema",
  "description": "Master standard schema combining the strongest elements from 12 model outputs across 3 stages. Primary structure from qwen3-235b-a22b, with targeted additions from qwen3-30b-a3b-instruct-2507, mistralai-Ministral-3-8B-Reasoning-2512, mistral-large-3-675b-instruct-2512, and Qwen-Qwen3-4B-Instruct-2507.",
  "type": "object",
  "required": [
    "feedstock",
    "catalyst",
    "process_conditions",
    "yields",
    "analytical_characterisation",
    "metadata"
  ],
  "properties": {
    "metadata": {
      "type": "object",
      "description": "Bibliographic and experimental metadata.",
      "required": [
        "study_id",
        "author"
      ],
      "properties": {
        "study_id": {
          "type": "string",
          "description": "Unique identifier for the study."
        },
        "author": {
          "type": "string",
          "description": "Name(s) of the researcher(s)."
        },
        "doi": {
          "type": "string",
          "description": "Digital Object Identifier for the publication."
        },
        "research_institution": {
          "type": "string",
          "description": "Institution where the research was conducted."
        },
        "publication_year": {
          "type": "integer",
          "description": "Year of publication."
        }
      }
    },
    "feedstock": {
      "type": "object",
      "description": "Input plastic waste characteristics determining degradation mechanisms and product distribution.",
      "required": [
        "type",
        "composition"
      ],
      "properties": {
        "type": {
          "type": "string",
          "description": "Primary category of polymeric material used as input.",
          "enum": [
            "PE",
            "PP",
            "PS",
            "PET",
            "PVC",
            "LDPE",
            "HDPE",
            "EPS",
            "HIPS",
            "MLP",
            "mixed",
            "other"
          ]
        },
        "composition": {
          "type": "object",
          "description": "Relative proportions of polymer types in input stream (sum must equal 1.0). Required when type is mixed.",
          "unevaluatedProperties": {
            "type": "number",
            "minimum": 0,
            "maximum": 1
          }
        },
        "moisture_content": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Moisture content of feedstock as weight percentage."
        },
        "particle_size": {
          "type": "object",
          "description": "Particle size of feedstock after preprocessing.",
          "properties": {
            "value": {
              "type": "number",
              "minimum": 0,
              "description": "Particle size value in mm."
            },
            "unit": {
              "type": "string",
              "enum": [
                "mm",
                "cm"
              ],
              "default": "mm",
              "description": "Unit of measurement for particle size, typically millimetres (mm) or centimetres (cm)."
            }
          }
        },
        "preprocessing": {
          "type": "array",
          "items": {
            "type": "string",
            "enum": [
              "mechanical sorting",
              "shredding",
              "dry-washing",
              "drying",
              "size reduction",
              "other"
            ]
          },
          "description": "Feedstock pretreatment steps applied before pyrolysis."
        },
        "contaminants": {
          "type": "object",
          "description": "Contaminant content of the feedstock, critical for real mixed plastic waste containing PVC and multilayer packaging.",
          "properties": {
            "chlorine_content_ppm": {
              "type": "number",
              "minimum": 0,
              "description": "Chlorine content in parts per million (ppm)."
            },
            "heavy_metals_ppm": {
              "type": "number",
              "minimum": 0,
              "description": "Total heavy metals content in parts per million (ppm)."
            }
          }
        }
      }
    },
    "catalyst": {
      "type": "object",
      "description": "Catalyst properties and lifecycle parameters.",
      "required": [
        "type",
        "ratio"
      ],
      "properties": {
        "type": {
          "type": "string",
          "description": "Catalytic material applied.",
          "enum": [
            "zeolites",
            "FCC",
            "metal-supported",
            "HZSM-5",
            "Y-zeolite",
            "Al-MCM-41",
            "other"
          ]
        },
        "subtype": {
          "type": "string",
          "description": "Specific catalyst subtype or commercial designation (e.g., HZSM-5, Y-zeolite, Al-MCM-41)."
        },
        "ratio": {
          "type": "number",
          "minimum": 0,
          "description": "Mass ratio between catalyst and plastic feedstock."
        },
        "activation_method": {
          "type": "string",
          "description": "Method used to activate or prepare the catalyst before use (e.g., calcination temperature and duration)."
        },
        "reusability_cycles": {
          "type": "integer",
          "minimum": 0,
          "description": "Number of times the catalyst can be reused before significant deactivation."
        },
        "deactivation_mechanism": {
          "type": "string",
          "description": "Primary mechanism of catalyst deactivation (e.g., coking, sintering, poisoning)."
        },
        "coke_formation_rate": {
          "type": "number",
          "minimum": 0,
          "description": "Rate of coke deposition on catalyst surface (wt% per cycle or per hour)."
        }
      }
    },
    "reactor": {
      "type": "object",
      "description": "Reactor configuration and physical parameters.",
      "required": [
        "configuration"
      ],
      "properties": {
        "configuration": {
          "type": "string",
          "description": "Design and operational setup of the reactor.",
          "enum": [
            "fixed-bed",
            "fluidized-bed",
            "spouted-bed",
            "microwave",
            "rotary-kiln",
            "batch",
            "semi-batch",
            "other"
          ]
        },
        "scale": {
          "type": "string",
          "description": "Operational scale of the reactor.",
          "enum": [
            "laboratory",
            "pilot",
            "demonstration",
            "industrial"
          ]
        },
        "volume": {
          "type": "number",
          "minimum": 0,
          "description": "Reactor volume in mL or L."
        },
        "pressure": {
          "type": "number",
          "minimum": 0,
          "description": "Operating pressure in bar or atm."
        },
        "inert_gas_flow_rate": {
          "type": "number",
          "minimum": 0,
          "description": "Flow rate of inert gas in mL/min."
        }
      }
    },
    "process_conditions": {
      "type": "object",
      "description": "Operational parameters of the pyrolysis process.",
      "required": [
        "temperature",
        "heating_rate",
        "residence_time",
        "atmosphere"
      ],
      "properties": {
        "temperature": {
          "type": "number",
          "minimum": 250,
          "maximum": 900,
          "description": "Pyrolysis temperature in degrees Celsius."
        },
        "heating_rate": {
          "type": "number",
          "minimum": 0,
          "description": "Rate of temperature increase in degrees Celsius per minute."
        },
        "residence_time": {
          "type": "number",
          "minimum": 0,
          "description": "Duration the feedstock remains in reaction conditions in minutes."
        },
        "atmosphere": {
          "type": "string",
          "description": "Gaseous environment in reactor.",
          "enum": [
            "nitrogen",
            "argon",
            "hydrogen",
            "steam",
            "inert",
            "other"
          ]
        },
        "carrier_gas": {
          "type": "object",
          "description": "Carrier gas type and flow rate.",
          "required": [
            "type",
            "flow_rate"
          ],
          "properties": {
            "type": {
              "type": "string",
              "enum": [
                "nitrogen",
                "argon",
                "hydrogen",
                "steam"
              ],
              "description": "Identity of the carrier gas used to sweep pyrolysis vapours through the reactor and into the condensation system."
            },
            "flow_rate": {
              "type": "number",
              "minimum": 0,
              "description": "Volumetric flow rate in mL/min."
            }
          }
        }
      }
    },
    "experimental_setup": {
      "type": "object",
      "description": "Experimental design parameters.",
      "properties": {
        "scale": {
          "type": "string",
          "enum": [
            "laboratory",
            "pilot",
            "demonstration",
            "industrial"
          ],
          "description": "Experimental scale at which the process is conducted, indicating the level of technological maturity and reproducibility of the reported results."
        },
        "number_of_replicates": {
          "type": "integer",
          "minimum": 1,
          "description": "Number of experimental repetitions."
        },
        "validation_method": {
          "type": "string",
          "description": "Approach for process verification (optional, rarely reported in literature)."
        }
      }
    },
    "yields": {
      "type": "object",
      "description": "Product yield distribution from the pyrolysis process.",
      "required": [
        "liquid",
        "gas",
        "char"
      ],
      "properties": {
        "liquid": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Liquid product yield as weight percentage of feedstock."
        },
        "gas": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Gas product yield as weight percentage of feedstock."
        },
        "char": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Solid residue yield as weight percentage of feedstock."
        },
        "mass_balance_closure": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Sum of all product yields as percentage. Values below 95% or above 105% should be flagged. Critical for experimental validation."
        }
      }
    },
    "product_composition": {
      "type": "object",
      "description": "Chemical composition and quality metrics of each product fraction.",
      "properties": {
        "liquid": {
          "type": "object",
          "description": "Chemical composition of the liquid (oil) fraction obtained from pyrolysis, characterised by hydrocarbon class distribution.",
          "properties": {
            "aliphatics_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Aliphatic hydrocarbon content as weight percentage."
            },
            "aromatics_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Aromatic hydrocarbon content as weight percentage."
            },
            "oxygenates_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Oxygenated compound content as weight percentage."
            }
          }
        },
        "liquid_quality": {
          "type": "object",
          "description": "Quality metrics of the liquid product relevant for fuel or chemical applications.",
          "properties": {
            "hhv_mj_per_kg": {
              "type": "number",
              "minimum": 0,
              "maximum": 50,
              "description": "Higher heating value in MJ/kg (typically 37-45 MJ/kg for pyrolysis oils)."
            },
            "chlorine_ppm": {
              "type": "number",
              "minimum": 0,
              "description": "Chlorine content in liquid product in ppm."
            },
            "density_g_per_ml": {
              "type": "number",
              "minimum": 0,
              "description": "Density of liquid oil in g/mL."
            },
            "viscosity_cst": {
              "type": "number",
              "minimum": 0,
              "description": "Kinematic viscosity in centistokes (cSt)."
            }
          }
        },
        "gas": {
          "type": "object",
          "description": "Compositional breakdown of the non-condensable gas fraction produced during pyrolysis, reported as volume percentages of individual components.",
          "properties": {
            "methane_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Methane content as volume percentage."
            },
            "hydrogen_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Hydrogen content as volume percentage."
            },
            "co2_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "CO2 content as volume percentage."
            },
            "co_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "CO content as volume percentage."
            },
            "c2_c4_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "C2-C4 hydrocarbon content as volume percentage."
            }
          }
        },
        "char": {
          "type": "object",
          "description": "Elemental and compositional characterisation of the solid carbonaceous residue (char) remaining after pyrolysis, including residual catalyst and inorganic content.",
          "properties": {
            "carbon_content_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Carbon content of char as weight percentage."
            },
            "ash_content_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Ash content of char as weight percentage."
            },
            "catalyst_content_pct": {
              "type": "number",
              "minimum": 0,
              "maximum": 100,
              "description": "Residual catalyst content in char as weight percentage."
            }
          }
        }
      }
    },
    "analytical_characterisation": {
      "type": "object",
      "description": "Analytical characterization methods applied to feedstock, products, and catalyst. Three-level structure reflecting how characterization is reported in catalytic pyrolysis literature.",
      "properties": {
        "feedstock_analysis": {
          "type": "array",
          "items": {
            "type": "string",
            "enum": [
              "TGA",
              "FTIR",
              "DSC",
              "XRD",
              "SEM",
              "elemental analysis",
              "proximate analysis",
              "other"
            ]
          },
          "description": "Analytical methods used for feedstock characterization."
        },
        "product_analysis": {
          "type": "array",
          "items": {
            "type": "string",
            "enum": [
              "GC-MS",
              "FTIR",
              "TGA",
              "NMR",
              "HPLC",
              "GC-FID",
              "SIMDIS",
              "ICP-MS",
              "bomb calorimetry",
              "other"
            ]
          },
          "description": "Analytical methods used for product characterization."
        },
        "catalyst_analysis": {
          "type": "array",
          "items": {
            "type": "string",
            "enum": [
              "BET",
              "XRD",
              "SEM-EDX",
              "TGA",
              "NH3-TPD",
              "Py-FTIR",
              "TEM",
              "ICP-OES",
              "other"
            ]
          },
          "description": "Analytical methods used for catalyst characterization (fresh and spent)."
        }
      }
    },
    "performance_metrics": {
      "type": "object",
      "description": "Key performance indicators of the overall pyrolysis process.",
      "properties": {
        "conversion_efficiency_percent": {
          "type": "number",
          "minimum": 0,
          "maximum": 100,
          "description": "Percentage of feedstock converted into products."
        },
        "energy_efficiency": {
          "type": "number",
          "minimum": 0,
          "description": "Ratio of energy output to energy input for the process."
        },
        "catalyst_lifetime": {
          "type": "number",
          "minimum": 0,
          "description": "Estimated catalyst lifetime in hours or cycles."
        }
      }
    }
  },
  "unevaluatedProperties": false
}