chemical

name	chemical
description	Chemistry fundamentals and applications
license	MIT
compatibility	opencode
metadata	{"audience":"engineers, scientists, students","category":"engineering"}

What I do

• Explain chemical principles and reaction mechanisms
• Provide solubility, reactivity, and safety information
• Support chemical analysis and characterization
• Guide on chemical handling and storage
• Assist with laboratory and industrial chemistry

When to use me

• When working with chemical processes or formulations
• When needing chemical property data or reactivity
• When selecting materials for chemical compatibility
• When understanding reaction stoichiometry
• When researching chemical safety considerations

Key Concepts

Chemical Properties

# Common chemical data structures
CHEMICAL_PROPERTIES = {
    "water": {
        "formula": "H2O",
        "mw": 18.015,
        "density": 1000,  # kg/m³
        "melting_point": 0,  # °C
        "boiling_point": 100,
        "solubility": "miscible"
    },
    "ethanol": {
        "formula": "C2H5OH",
        "mw": 46.07,
        "density": 789,
        "melting_point": -114,
        "boiling_point": 78.37,
        "solubility": "miscible"
    },
    "acetone": {
        "formula": "C3H6O",
        "mw": 58.08,
        "density": 784,
        "melting_point": -95,
        "boiling_point": 56,
        "solubility": "miscible"
    }
}

Common Chemical Reactions

Reaction Type	General Form	Example
Synthesis	A + B → AB	2H₂ + O₂ → 2H₂O
Decomposition	AB → A + B	2H₂O → 2H₂ + O₂
Single Replacement	A + BC → AC + B	Zn + 2HCl → ZnCl₂ + H₂
Double Replacement	AB + CD → AD + CB	AgNO₃ + NaCl → AgCl + NaNO₃
Combustion	Fuel + O₂ → CO₂ + H₂O	CH₄ + 2O₂ → CO₂ + 2H₂O

Safety and Handling

# GHS Hazard Classes
GHS_HAZARDS = {
    "flammable": ["Flammable gas", "Flammable liquid", "Flammable solid"],
    "oxidizer": ["Oxidizing gas", "Oxidizing liquid", "Oxidizing solid"],
    "corrosive": ["Skin corrosion", "Eye damage"],
    "toxic": ["Acute toxicity", "Carcinogen", "Mutagen"],
    "environmental": ["Aquatic toxicity", "Ozone layer"]
}

# Storage groups (incompatible chemicals)
STORAGE_GROUPS = {
    "acids": {"compatible": ["acids"], "incompatible": ["bases", "cyanides", "sulfides"]},
    "bases": {"compatible": ["bases"], "incompatible": ["acids", "metals", "acids"]},
    "flammables": {"compatible": ["flammables"], "incompatible": ["oxidizers", "acids"]},
    "oxidizers": {"compatible": ["oxidizers"], "incompatible": ["flammables", "acids", "metals"]}
}

Concentration Units

# Common concentration conversions
def molarity_to_molality(M, density, mw_solute):
    """Convert molarity to molality"""
    # m = (1000 * M) / (1000*ρ - M * mw)
    solvent_mass = (1000 * density - M * mw_solute) / 1000
    return M / solvent_mass

def ppm_to_mg_m3(ppm, mw):
    """Convert ppm to mg/m³"""
    # At 25°C and 1 atm: mg/m³ = ppm × MW / 24.45
    return ppm * mw / 24.45

def percent_to_molarity(percent, mw):
    """Convert weight percent to molarity"""
    # Approximate: M = (10 × percent) / MW
    return (10 * percent) / mw

Chemical Analysis Methods

Method	Principle	Applications
Titration	Neutralization reaction	Concentration determination
Spectroscopy	Light absorption/emission	Elemental analysis
Chromatography	Phase separation	Mixture analysis
Mass spec	Ion mass/charge	Molecular identification
pH measurement	Electrode potential	Acidity/basicity