# Electrochemistry Database
# Tafel slopes, exchange current densities, Butler-Volmer parameters
# Pre-extracted from corrosion_kb semantic search
metadata:
extraction_method: "Semantic search + Butler-Volmer calculation"
extraction_date: "2025-10-18"
source_repos:
- repo: "corrosion_kb"
ref: "v1.0 (2,980 vector chunks)"
url: "Puran Water internal vector database"
- repo: "USNavalResearchLaboratory/corrosion-modeling-applications"
ref: "master"
url: "https://github.com/USNavalResearchLaboratory/corrosion-modeling-applications"
source_documents:
- "Handbook of Corrosion Engineering"
- "NRL polarization curve coefficients (SS316ORRCoeffs.csv, SS316HERCoeffs.csv)"
parser_version: "1.0"
retrieved_at: "2025-10-18T10:00:00Z"
notes: |
Electrochemical parameters extracted from handbooks and NRL GitHub data.
Values at 25°C unless otherwise noted.
Units:
- Tafel slopes: V/decade
- Exchange current density (i0): A/m²
- Transfer coefficient (alpha): dimensionless (0-1)
# Base parameters for Butler-Volmer calculations
# Used when specific material/electrolyte combo not in reactions database
base_parameters:
fe_oxidation:
reaction: "Fe → Fe²⁺ + 2e⁻"
n_electrons: 2
alpha: 0.5
i0_A_per_m2_25C: 1.0e-5
activation_energy_kJ_per_mol: 40.0
source: "Handbook of Corrosion Engineering"
notes: "Typical values for Fe oxidation in neutral solution"
o2_reduction:
reaction: "O₂ + 2H₂O + 4e⁻ → 4OH⁻"
n_electrons: 4
alpha: 0.5
i0_A_per_m2_25C: 1.0e-8
activation_energy_kJ_per_mol: 50.0
source: "Handbook of Corrosion Engineering"
notes: "Oxygen reduction in alkaline/neutral solution"
h2_evolution:
reaction: "2H⁺ + 2e⁻ → H₂"
n_electrons: 2
alpha: 0.5
i0_A_per_m2_25C: 1.0e-6
activation_energy_kJ_per_mol: 35.0
source: "Handbook of Corrosion Engineering"
notes: "Hydrogen evolution in acidic solution"
# Specific material/reaction/electrolyte combinations
reactions:
# Carbon Steel reactions from semantic search findings
carbon_steel_fe_oxidation_seawater:
material: "Carbon Steel"
reaction: "Fe_oxidation"
electrolyte: "seawater"
ba_V_per_decade: 0.060
bc_V_per_decade: -0.120
i0_A_per_m2: 1.0e-5
alpha: 0.5
n_electrons: 2
temperature_C: 25
pH: 8.2
source: "Handbook of Corrosion Engineering, Fig 3.14"
source_document: "Handbook of Corrosion Engineering"
extraction_date: "2025-10-18"
quality_note: "Standard seawater conditions"
carbon_steel_o2_reduction_seawater:
material: "Carbon Steel"
reaction: "O2_reduction"
electrolyte: "seawater"
ba_V_per_decade: 0.120
bc_V_per_decade: -0.180
i0_A_per_m2: 1.0e-8
alpha: 0.5
n_electrons: 4
temperature_C: 25
pH: 8.2
source: "Handbook of Corrosion Engineering"
source_document: "Handbook of Corrosion Engineering"
extraction_date: "2025-10-18"
quality_note: "Oxygen reduction on carbon steel in seawater"
# Stainless Steel 316 from NRL GitHub data
ss316_orr_seawater:
material: "Stainless Steel 316"
reaction: "O2_reduction"
electrolyte: "seawater"
ba_V_per_decade: 0.100
bc_V_per_decade: -0.150
i0_A_per_m2: 5.0e-9
alpha: 0.5
n_electrons: 4
temperature_C: 25
pH: 8.2
source: "NRL SS316ORRCoeffs.csv (GitHub)"
source_document: "USNavalResearchLaboratory/corrosion-modeling-applications"
source_repo: "https://github.com/USNavalResearchLaboratory/corrosion-modeling-applications"
source_ref: "master"
source_url: "https://raw.githubusercontent.com/USNavalResearchLaboratory/corrosion-modeling-applications/master/polarization-curve-modeling/SS316ORRCoeffs.csv"
extraction_date: "2025-10-18"
quality_note: "From NRL polarization curve modeling dataset"
ss316_her_seawater:
material: "Stainless Steel 316"
reaction: "H2_evolution"
electrolyte: "seawater"
ba_V_per_decade: 0.080
bc_V_per_decade: -0.120
i0_A_per_m2: 1.0e-7
alpha: 0.5
n_electrons: 2
temperature_C: 25
pH: 8.2
source: "NRL SS316HERCoeffs.csv (GitHub)"
source_document: "USNavalResearchLaboratory/corrosion-modeling-applications"
source_repo: "https://github.com/USNavalResearchLaboratory/corrosion-modeling-applications"
source_ref: "master"
source_url: "https://raw.githubusercontent.com/USNavalResearchLaboratory/corrosion-modeling-applications/master/polarization-curve-modeling/SS316HERCoeffs.csv"
extraction_date: "2025-10-18"
quality_note: "Hydrogen evolution reaction on SS316"
# Stainless Steel 316L (low carbon variant)
ss316l_fe_oxidation_seawater:
material: "316L Stainless Steel"
reaction: "Fe_oxidation"
electrolyte: "seawater"
ba_V_per_decade: 0.055
bc_V_per_decade: -0.110
i0_A_per_m2: 5.0e-6
alpha: 0.5
n_electrons: 2
temperature_C: 25
pH: 8.2
source: "Handbook of Corrosion Engineering"
source_document: "Handbook of Corrosion Engineering"
extraction_date: "2025-10-18"
quality_note: "316L in seawater, similar to 316 but slightly lower i0"
# Freshwater / brine variations (placeholders - to be enriched)
carbon_steel_fe_oxidation_freshwater:
material: "Carbon Steel"
reaction: "Fe_oxidation"
electrolyte: "freshwater"
ba_V_per_decade: 0.065
bc_V_per_decade: -0.130
i0_A_per_m2: 8.0e-6
alpha: 0.5
n_electrons: 2
temperature_C: 25
pH: 7.0
source: "Handbook of Corrosion Engineering (estimated)"
source_document: "Handbook of Corrosion Engineering"
extraction_date: "2025-10-18"
quality_note: "Freshwater approximation - slightly different from seawater"
carbon_steel_fe_oxidation_brine:
material: "Carbon Steel"
reaction: "Fe_oxidation"
electrolyte: "brine"
ba_V_per_decade: 0.058
bc_V_per_decade: -0.115
i0_A_per_m2: 1.2e-5
alpha: 0.5
n_electrons: 2
temperature_C: 25
pH: 6.5
source: "Handbook of Corrosion Engineering (estimated)"
source_document: "Handbook of Corrosion Engineering"
extraction_date: "2025-10-18"
quality_note: "High-chloride brine - higher i0 due to conductivity"
# Temperature correction guidance
temperature_correction:
method: "Arrhenius"
formula: "i0(T) = i0_ref × exp(-Ea/R × (1/T - 1/T_ref))"
notes: |
Exchange current density increases with temperature following Arrhenius:
- Typical Ea: 35-50 kJ/mol
- Tafel slopes also temperature dependent: ba = 2.303 × (RT / αnF)
- Current implementation auto-calculates if base_parameters available
# Future enhancements
enhancements:
- title: "pH dependencies"
status: "planned"
notes: "Add pH correction factors for H+ dependent reactions"
- title: "Passivation parameters"
status: "planned"
notes: "Add passive film breakdown potentials (Epit, Erp)"
- title: "More materials"
status: "planned"
materials_to_add:
- "Duplex 2205"
- "Super Duplex"
- "Alloy 20"
- "Hastelloy C-276"
- "Titanium Grade 2"