Chemistry Foundations

Overview

Element and composition arithmetic in quantsmind.chemistry (elements.py): a curated 29-element table, molar-mass math, a minimal formula parser, and mole/mass/molarity conversions.

Purpose

Let users compute with real chemical identity (symbols, masses) in a few lines of dependency-free Python.

Concept

Compositions are {symbol: count} dicts; masses use IUPAC conventional atomic masses; conversions follow n = m/M and C = n/V.

API

Element, ELEMENTS, element(), molar_mass(), parse_formula(), moles_from_mass(), mass_from_moles(), molarity(), limiting_reactant(), theoretical_yield_moles(), AVOGADRO_CONSTANT.

Input / Processing / Output

Input: symbols, flat formulas ("H2O"), gram/Liter quantities. Processing: table lookup and arithmetic. Output: g/mol, mol, mol/L.

Example

python examples/chemistry/water.py parses water, weighs 2 moles, and mixes a 1.0 mol/L solution.

Limitations

Flat formulas only (no parentheses, charges, hydrates); curated table, not a full periodic database; no reactions, dynamics, or quantum chemistry — those are explicitly out of scope.