An easy-to-use library that quickly performs chemistry calculations.


Keywords
Chemistry, Chemlib, balancing-chemical-equations, chemical-reactions, compounds, periodic-table, pypi-package, python3, quantum-mechanics, stoichiometry
License
MIT
Install
pip install chemlib==2.1.6

Documentation

chemlib

โš—๏ธ๐Ÿ”ฌ๐Ÿ‘จโ€๐Ÿ”ฌ๐Ÿงช
Chemistry Library

A pure Python package that supports a variety of functions pertaining to the vast field of chemistry.



Installation

Use the Python Package Installer (PyPI):

$ pip install -U chemlib

Features

  • Properties of all Elements
  • Compounds
    • Formula
    • Molar Mass
    • Percentage Composition by Mass
    • Stoichiometric Amounts
    • Oxidation States/Numbers
  • Empirical Formulae
    • Empirical Formula by Percentage Composition
    • Combustion Analysis of Hydrocarbons
  • Aqueous Solutions
    • Solute
    • Molarity (mol/L)
    • Stoichiometric Amounts
    • Dilutions
  • Chemical Reactions
    • Formula
    • Balancing the Equation
    • Combustion Reactions
    • Stoichiometric Amounts
    • Limiting Reagent
  • Electrochemistry
    • Galvanic (Voltaic) Cells
      • Anode, Cathode, Cell Potential, Diagram
    • Electrolysis
  • Quantum Mechanics
    • Electromagnetic Waves
      • Frequency, Wavelength, Energy per photon
    • Energy in nth Hydrogen Orbital
    • Rydberg Equation

Galvanic Cell Diagrams

Zn-Cu Galvanic Cell

Elements

>>> from chemlib import Element

>>> boron = Element('B')   #Declare Element from its symbol

>>> boron.properties
{'AtomicNumber': 5.0, 'Element': 'Boron', 'Symbol': 'B', 'AtomicMass': 10.811, 'Neutrons': 6.0, 'Protons': 5.0, 'Electrons': 5.0, 'Period': 2.0, 'Group': 13.0, 'Phase': 'solid', 'Radioactive': False, 'Natural': True, 'Metal': False, 'Nonmetal': False, 'Metalloid': True, 'Type': 'Metalloid', 'AtomicRadius': '1.2', 'Electronegativity': 2.04, 'FirstIonization': '8.298', 'Density': '2.34', 'MeltingPoint': '2573.15', 'BoilingPoint': '4200', 'Isotopes': 6.0, 'Discoverer': 'Gay-Lussac', 'Year': '1808', 'SpecificHeat': '1.026', 'Shells': 2.0, 'Valence': 3.0, 'Config': '[He] 2s2 2p1', 'MassNumber': 11.0}

>>> boron.AtomicMass
10.811

Compounds

>>> from chemlib import Compound

>>> nitric_acid = Compound("HNO3")

>>> nitric_acid.occurences
{'H': 1, 'N': 1, 'O': 3}

>>> nitric_acid.molar_mass()
63.01

>>> nitric_acid.percentage_by_mass('O')  #Get percentage composition by mass of a constituent element of choice
76.174

Stoichiometric conversions with compounds

Accepted inputs: grams, moles, and molecules

>>> from chemlib import Compound

>>> water = Compound('H2O')

>>> water.formula
'Hโ‚‚Oโ‚'

>>> water.get_amounts(grams = 2)
{'Compound': 'Hโ‚‚Oโ‚', 'Grams': 2, 'Moles': 0.111, 'Molecules': 6.685e+22}

>>> water.get_amounts(moles = 1)
{'Compound': 'Hโ‚‚Oโ‚', 'Grams': 18.01, 'Moles': 1, 'Molecules': 6.02e+23}

>>> water.get_amounts(molecules = 1.0e+24)
{'Compound': 'Hโ‚‚Oโ‚', 'Grams': 29.917, 'Moles': 1.6611, 'Molecules': 1e+24}

Balancing Chemical Reactions

>>> from chemlib import Compound, Reaction

>>> H2 = Compound('H2')
>>> O2 = Compound('O2')
>>> H2O = Compound('H2O')
>>> r = Reaction(reactants = [H2, O2], products = [H2O])

>>> r.formula
'1Hโ‚‚ + 1Oโ‚‚ --> 1Hโ‚‚Oโ‚'

>>> r.is_balanced
False

>>> r.balance()

>>> r.formula
'2Hโ‚‚ + 1Oโ‚‚ --> 2Hโ‚‚Oโ‚'

>>> r.is_balanced
True

Citing

If you use chemlib in your scientific work, please consider citing:

| H. R. Ambethkar, chemlib - A Python chemistry library , 2020-- . Available at: https://github.com/harirakul/chemlib.

The reference in the BibLaTeX format:

@software{chemlib2020,
   author = {Ambethkar, Hari},
   title = {{chemlib} -- A Python chemistry library},
   url = {https://github.com/harirakul/chemlib},
   version = {2.1.9},
   date = {2020--},
}