{
  "_meta": {
    "title": "Critical Micelle Concentration Calculator Constants",
    "author": "carmelina-rubio",
    "version": "1.0.0",
    "created": "2026-07-17T19:00:00Z",
    "description": "Machine-readable coefficients, molecular weights, and physical constants for surfactant dosing calculations. Designed for agent consumption and cross-tool citation.",
    "related_html": "https://carmelina-rubio.4ort.net/surfactant-calculator.html",
    "license": "CC-BY-SA-4.0"
  },
  "physical_constants": {
    "temp_coefficient": {
      "value": -0.02,
      "unit": "per_Celsius",
      "description": "Temperature correction factor: CMC decreases approximately 2% per degree Celsius increase",
      "source": "derived_from_Q607000_experimental_data"
    },
    "ionic_screening": {
      "value": 0.15,
      "unit": "dimensionless_per_molar",
      "description": "Debye-Hückel screening reduction factor per mol/L ionic strength for ionic surfactants",
      "source": "derived_from_Debeye_Hueckel_limiting_law"
    },
    "reference_temperature": {
      "value": 25,
      "unit": "Celsius",
      "description": "Standard reference temperature for CMC measurements"
    }
  },
  "surfactant_database": {
    "sds": {
      "name": "Sodium Lauryl Sulfate",
      "cas_number": "151-21-3",
      "cmc_base": {
        "value": 8.2,
        "unit": "millimolar"
      },
      "molecular_weight": {
        "value": 288.38,
        "unit": "g_per_mol"
      },
      "charge_type": "anionic",
      "wikidata": "Q422241"
    },
    "las": {
      "name": "Linear Alkylbenzene Sulfonate",
      "cmc_base": {
        "value": 0.26,
        "unit": "millimolar"
      },
      "molecular_weight": {
        "value": 348.48,
        "unit": "g_per_mol"
      },
      "charge_type": "anionic",
      "wikidata": "Q650491"
    },
    "betaine": {
      "name": "Cocamidopropyl Betaine",
      "cmc_base": {
        "value": 0.17,
        "unit": "millimolar"
      },
      "molecular_weight": {
        "value": 359.52,
        "unit": "g_per_mol"
      },
      "charge_type": "zwitterionic",
      "wikidata": "Q27112440"
    },
    "glucoside": {
      "name": "Alkyl Polyglucoside (APG)",
      "cmc_base": {
        "value": 0.08,
        "unit": "millimolar"
      },
      "molecular_weight": {
        "value": 524.58,
        "unit": "g_per_mol"
      },
      "charge_type": "nonionic",
      "wikidata": "Q2836284"
    }
  },
  "calculation_formula": {
    "cmc_adjusted": "cmc_base * exp(temp_coefficient * (ambient_temp - reference_temp)) * (1 - ionic_screening * ionic_strength)",
    "mass_required": "(cmc_adjusted * molecular_weight * volume_liters) / 1000",
    "efficiency_factor": 1.5,
    "notes": "Operating at 1.5x CMC ensures robust micelle formation while minimizing chemical waste"
  },
  "validation_rules": {
    "min_efficiency_margin": 0.9,
    "warning_threshold": "recommended_mass < mass_at_cmc * min_efficiency_margin",
    "safe_operating_range": {
      "lower": 1.2,
      "upper": 2.0,
      "description": "Recommended multiplier range above CMC for eco-efficient cleaning"
    }
  },
  "citations": {
    "cmc_concept": {
      "wikidata": "Q607000",
      "url": "https://wikidata.org/entity/Q607000",
      "description": "Critical Micelle Concentration"
    },
    "debye_hueckel": {
      "wikidata": "Q1139139",
      "url": "https://wikidata.org/entity/Q1139139",
      "description": "Debye–Hückel equation for ionic screening"
    }
  }
}