chemlib 2.1.3

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

chemlib

Chemlib is a pure Python library that supports a variety of functions pertaining to the vast field of chemistry. It is under active development and continually improved to include more and more features.

Necessary data that provides properties of all the elements in the Periodic Table is found in this csv file.

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
  • Empirical Formula by Percentage Composition
• Chemical Reactions
  • Formula
  • Balancing the Equation
  • Combustion Reactions
  • Stoichiometric Amounts
  • Limiting Reagent
• Quantum Mechanics
  • Electromagnetic Waves
    • Frequency, Wavelength, Energy per photon
  • Energy in nth Hydrogen Orbital
  • Rydberg Equation

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
'H₂O₁'

>>> water.get_amounts(grams = 2)
{'Compound': 'H₂O₁', 'Grams': 2, 'Moles': 0.111, 'Molecules': 6.685e+22}

>>> water.get_amounts(moles = 1)
{'Compound': 'H₂O₁', 'Grams': 18.01, 'Moles': 1, 'Molecules': 6.02e+23}

>>> water.get_amounts(molecules = 1.0e+24)
{'Compound': 'H₂O₁', '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
'1H₂ + 1O₂ --> 1H₂O₁'

>>> r.is_balanced
False

>>> r.balance()

>>> r.formula
'2H₂ + 1O₂ --> 2H₂O₁'

>>> r.is_balanced
True

To-Do

• Building Empirical Formulas
• Combustion Analysis
• Hydrates
• Percent Yield
• Molarity and pH
• Thermochemistry