Kimiya

Kimiya (كيمياء — Arabic for "alchemy", the root of "chemistry") — chemistry engine for the AGNOS ecosystem.

Features

• Elements — 36 elements (H–Kr) with accurate atomic masses, electronegativity, categories
• Molecules — composition, molecular weight, formula strings (H2O, CO2, etc.)
• Reactions — Gibbs free energy, equilibrium constants, Hess's law, spontaneity
• Kinetics — Arrhenius rate, half-life, first/second-order concentration decay
• Gas Laws — ideal gas (PV=nRT), Van der Waals, partial pressure, gas density
• Solutions — molarity, molality, dilution, pH, pOH, Henderson-Hasselbalch
• Thermochemistry — heat transfer (q=mcΔT), formation enthalpy, specific heat

Quick Start

use kimiya::{element, molecule::Molecule, gas, solution};

let fe = element::lookup_by_symbol("Fe").unwrap();
println!("{}: {:.3} g/mol", fe.name, fe.atomic_mass);

let water = Molecule::water();
assert!((water.molecular_weight() - 18.015).abs() < 0.01);

let ph = solution::ph_from_h_concentration(1e-7);
assert!((ph - 7.0).abs() < 0.01); // pure water

License

GPL-3.0