A powerful command line tool for performing stoichiometry calculations on checmicals and chemical equations.

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Command Line Stoichiometry
Overview

Stoichiometry

Stoichiometry is a powerful command line tool for preforming stoichiometry chemicals and chemical equations. Its subcommands are listed below.

React

The React subcommand performs limiting factor calculations on a chemical equation to calculate the exact amounts of reactants required and products produced. It takes one argument, equation, which is a textual representation of the balanced chemical reaction in the form

Na2(CO3) + CaCl2 -> Ca(CO3) + 2NaCl

Where Na2(CO3) and CaCl2 are reactants, and Ca(CO3) and NaCl are products.

You must also provide at least one target argument. When targetting an amount of either a reactant or product, you use the -r and -p options respectively, adding either a ? (unknown amount) or a number representing the targeted number of grams for each reactant/product. This example react command calculates the required amounts of sodium carbonate and calcium chloride to produce 2 grams of calcium carbonate:

$ stoic react "Na2(CO3) + CaCl2 -> Ca(CO3) + 2NaCl" -p 2 ?
Reaction: Na2(CO3) + CaCl2 -> Ca(CO3) + 2NaCl
Reactants:
Na2(CO3) required: 2.117920887633085g
CaCl2 required: 2.2176519487163096g
Products:
Ca(CO3) produced: 2.0g
NaCl produced: 2.335572836349394g

The -v flag enables verbose output, which prints the detailed molar mass calculations for each compound and the limiting reaction calculation. Here is the output of the previous example with the verbose flag enabled:

$ stoic react "Na2(CO3) + CaCl2 -> Ca(CO3) + 2NaCl" -p 2 ? -v
Reaction: Na2(CO3) + CaCl2 -> Ca(CO3) + 2NaCl
Molar mass calculations:
Molar mass of Na2(CO3) = 2x22.989769282 + (12.011 + 3x15.999) = 105.987538564 g/mol
Molar mass of CaCl2 = 40.0784 + 2x35.45 = 110.97840000000001 g/mol
Molar mass of Ca(CO3) = 40.0784 + (12.011 + 3x15.999) = 100.0864 g/mol
Molar mass of NaCl = 22.989769282 + 35.45 = 58.439769282 g/mol
Limiting factor calculation:
Number of reactions to produce 0.019982734917031685 mol of Ca(CO3): 0.019982734917031685
Limiting factor: Ca(CO3) (0.019982734917031685 reactions occurring)
0.019982734917031685 mol Na2(CO3) used
0.019982734917031685 mol CaCl2 used
0.019982734917031685 mol Ca(CO3) produced
0.03996546983406337 mol NaCl produced
Reactants:
Na2(CO3) required: 2.117920887633085g
CaCl2 required: 2.2176519487163096g
Products:
Ca(CO3) produced: 2.0g
NaCl produced: 2.335572836349394g

The -o option changes the output units, if you want to view the reactant/product amounts in another format. Supported formats are grams, milligrams, and moles.

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Comments
  • Use in other applications

    Use in other applications

    Hi thegail, fellow developer here. Was wondering whether you would be ok with my usage of this wonderful tool in my app https://github.com/mdnich/SciTool

    You would be of course attributed. Thank you so much, MDNich

    opened by MDNich 1
Releases(v0.1.0-alpha)

  • v0.1.0-alpha(Nov 17, 2021)

    Alpha version 0.1.0 implements the react subcommand, which calculates the amounts of reactants required and products produced in a chemical reaction. This includes the equation parser, molar mass calculations, limiting factor calculations, and command line argument parsing.

    Source code(tar.gz)
    Source code(zip)
    stoic(3.52 MB)
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