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