diff --git a/docs/build/doctrees/environment.pickle b/docs/build/doctrees/environment.pickle index cf8f527..559019a 100644 Binary files a/docs/build/doctrees/environment.pickle and b/docs/build/doctrees/environment.pickle differ diff --git a/docs/build/doctrees/reactions.doctree b/docs/build/doctrees/reactions.doctree index fb4d13b..a43f16a 100644 Binary files a/docs/build/doctrees/reactions.doctree and b/docs/build/doctrees/reactions.doctree differ diff --git a/docs/build/html/_modules/chemlib/chemistry.html b/docs/build/html/_modules/chemlib/chemistry.html index 52118c0..9bff25e 100644 --- a/docs/build/html/_modules/chemlib/chemistry.html +++ b/docs/build/html/_modules/chemlib/chemistry.html @@ -423,7 +423,31 @@

Source code for chemlib.chemistry

             amounts.append(compound_list[i].get_amounts(moles = index_moles*multipliers[i]))
 
         amounts[compound_number - 1] = index_amounts
-        return amounts
+ return amounts + + def limiting_reagent(self, *args, mode = 'grams'): + if mode not in ['grams', 'molecules', 'moles']: + raise ValueError("mode must be either grams, moles, or molecules. Default is grams") + + if not self.is_balanced: self.balance() + + reactants = [] + rformulas = [] + for i in self.reactants: + if i.formula not in rformulas: + rformulas.append(i.formula) + reactants.append(i) + + if len(args) != len(reactants): + raise TypeError(f"Expected {len(reactants)} arguments. The number of arguments should be equal to the number of reactants.") + + amounts = [reactants[i].get_amounts(**{mode: args[i]}) for i in range(len(args))] + moles = [i['Moles'] for i in amounts] + chosen_product = self.products[-1] + eq_amounts = [self.get_amounts(i + 1, moles = moles[i]) for i in range(len(args))] + data = [a[-1][mode.capitalize()] for a in eq_amounts] + + return (reactants[np.argmin(data)]) class Combustion(Reaction): diff --git a/docs/build/html/_sources/reactions.rst.txt b/docs/build/html/_sources/reactions.rst.txt index 0db2703..c13606e 100644 --- a/docs/build/html/_sources/reactions.rst.txt +++ b/docs/build/html/_sources/reactions.rst.txt @@ -91,4 +91,29 @@ Get the amounts of ALL compounds in the above reaction given 5 grams of N₂O₅ Get the amounts of ALL compounds in the above reaction given 3.5 moles of HNO₃. It is the third compound in the reaction by order of appearance (left to right). >>> r.get_amounts(3, moles=3.5) -[{'Compound': 'N₂O₅', 'Grams': 189.018, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₂O₁', 'Grams': 31.518, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₁N₁O₃', 'Grams': 220.535, 'Moles': 3.5, 'Molecules': 2.107e+24}] \ No newline at end of file +[{'Compound': 'N₂O₅', 'Grams': 189.018, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₂O₁', 'Grams': 31.518, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₁N₁O₃', 'Grams': 220.535, 'Moles': 3.5, 'Molecules': 2.107e+24}] + +Limiting Reagent +---------------- +.. py:function:: chemlib.chemistry.Reaction.limiting_reagent(self, *args, mode = 'grams') + + Get the limiting reagent (limiting reactant) in the chemical reaction. + + :param args: The amounts of each reactant to use in the chemical reaction. + :param str mode: The units of each amount in args. Default is grams, can also be moles or molecules. + :return: The limiting reagent of the reaction. + :rtype: chemlib.chemistry.Compound + :raises TypeError: If the number of args doesn't match the number of reactants in the reaction. + :raises ValueError: If the mode is not grams, moles, or molecules. + + Find the limiting reagent of the reaction when using 50 grams of the first reactant (N₂O₅) and 80 grams of the second reactant (H₂O): + + >>> lr = r.limiting_reagent(50, 50) + >>> lr.formula + 'N₂O₅' + + Find the limiting reagent of the reaction when using 3 moles of the first reactant (N₂O₅) and 1 mole of the second reactant (H₂O): + + >>> lr = r.limiting_reagent(3, 1, mode = 'moles') + >>> lr.formula + 'H₂O₁' \ No newline at end of file diff --git a/docs/build/html/genindex.html b/docs/build/html/genindex.html index 238f8c7..0ad4472 100644 --- a/docs/build/html/genindex.html +++ b/docs/build/html/genindex.html @@ -174,6 +174,8 @@

B

  • chemlib.chemistry.Reaction.balance()
  • chemlib.chemistry.Reaction.get_amounts() +
    • +
  • chemlib.chemistry.Reaction.limiting_reagent()
    • @@ -233,10 +235,10 @@

    C

  • chemlib.chemistry.Element.Isotopes (built-in variable)
    • - - +
  • chemlib.chemistry.Reaction.is_balanced (built-in variable)
    • +
  • + chemlib.chemistry.Reaction.limiting_reagent() + +
  • chemlib.chemistry.Reaction.product_formulas (built-in variable)
  • chemlib.chemistry.Reaction.reactant_formulas (built-in variable) diff --git a/docs/build/html/index.html b/docs/build/html/index.html index 71f4c4d..2c4e899 100644 --- a/docs/build/html/index.html +++ b/docs/build/html/index.html @@ -281,6 +281,7 @@

    ContentsCombustion Reactions

  • Balancing the Equation
  • Stoichiometry
    • +
  • Limiting Reagent
    • diff --git a/docs/build/html/objects.inv b/docs/build/html/objects.inv index a662952..4fcf505 100644 Binary files a/docs/build/html/objects.inv and b/docs/build/html/objects.inv differ diff --git a/docs/build/html/reactions.html b/docs/build/html/reactions.html index e802b27..e9aa5bb 100644 --- a/docs/build/html/reactions.html +++ b/docs/build/html/reactions.html @@ -89,6 +89,7 @@
  • Combustion Reactions
  • Balancing the Equation
  • Stoichiometry
    • +
  • Limiting Reagent
    • @@ -290,6 +291,47 @@

    Stoichiometry[{'Compound': 'N₂O₅', 'Grams': 189.018, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₂O₁', 'Grams': 31.518, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₁N₁O₃', 'Grams': 220.535, 'Moles': 3.5, 'Molecules': 2.107e+24}] + +
    +

    Limiting Reagent

    +
    +
    +chemlib.chemistry.Reaction.limiting_reagent(self, *args, mode='grams')
    +

    Get the limiting reagent (limiting reactant) in the chemical reaction.

    +
    +
    Parameters
    +
      +

    • args – The amounts of each reactant to use in the chemical reaction.

      • +

    • mode (str) – The units of each amount in args. Default is grams, can also be moles or molecules.

      • +
    +
    +
    Returns
    +

    The limiting reagent of the reaction.

    +
    +
    Return type
    +

    chemlib.chemistry.Compound

    +
    +
    Raises
    +
      +

    • TypeError – If the number of args doesn’t match the number of reactants in the reaction.

      • +

    • ValueError – If the mode is not grams, moles, or molecules.

      • +
    +
    +
    +

    Find the limiting reagent of the reaction when using 50 grams of the first reactant (N₂O₅) and 80 grams of the second reactant (H₂O):

    +
    >>> lr = r.limiting_reagent(50, 50)
+>>> lr.formula
+'N₂O₅'
+
    +
    +

    Find the limiting reagent of the reaction when using 3 moles of the first reactant (N₂O₅) and 1 mole of the second reactant (H₂O):

    +
    >>> lr = r.limiting_reagent(3, 1, mode = 'moles')
+>>> lr.formula
+'H₂O₁'
+
    +
    +
    +
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Compounds","Core Data","chemlib: a pure Python chemistry library","Chemical Reactions"],titleterms:{"class":2,access:2,balanc:[2,3],chemic:[0,2,3],chemistri:2,chemlib:2,combust:3,composit:0,compound:[0,2],constant:1,content:2,convers:2,core:1,data:1,datafram:2,easili:2,element:[1,2],equat:3,featur:2,indic:2,instal:2,librari:2,limit:3,make:[0,3],mass:0,molar:0,object:2,other:1,panda:2,percentag:0,period:[1,2],periodict:[],properti:2,pure:2,python:2,reaction:[2,3],reagent:3,stoichiometr:2,stoichiometri:[0,3],tabl:[1,2]}}) \ No newline at end of file diff --git a/docs/source/reactions.rst b/docs/source/reactions.rst index 0db2703..c13606e 100644 --- a/docs/source/reactions.rst +++ b/docs/source/reactions.rst @@ -91,4 +91,29 @@ Get the amounts of ALL compounds in the above reaction given 5 grams of N₂O₅ Get the amounts of ALL compounds in the above reaction given 3.5 moles of HNO₃. It is the third compound in the reaction by order of appearance (left to right). >>> r.get_amounts(3, moles=3.5) -[{'Compound': 'N₂O₅', 'Grams': 189.018, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₂O₁', 'Grams': 31.518, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₁N₁O₃', 'Grams': 220.535, 'Moles': 3.5, 'Molecules': 2.107e+24}] \ No newline at end of file +[{'Compound': 'N₂O₅', 'Grams': 189.018, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₂O₁', 'Grams': 31.518, 'Moles': 1.75, 'Molecules': 1.054e+24}, {'Compound': 'H₁N₁O₃', 'Grams': 220.535, 'Moles': 3.5, 'Molecules': 2.107e+24}] + +Limiting Reagent +---------------- +.. py:function:: chemlib.chemistry.Reaction.limiting_reagent(self, *args, mode = 'grams') + + Get the limiting reagent (limiting reactant) in the chemical reaction. + + :param args: The amounts of each reactant to use in the chemical reaction. + :param str mode: The units of each amount in args. Default is grams, can also be moles or molecules. + :return: The limiting reagent of the reaction. + :rtype: chemlib.chemistry.Compound + :raises TypeError: If the number of args doesn't match the number of reactants in the reaction. + :raises ValueError: If the mode is not grams, moles, or molecules. + + Find the limiting reagent of the reaction when using 50 grams of the first reactant (N₂O₅) and 80 grams of the second reactant (H₂O): + + >>> lr = r.limiting_reagent(50, 50) + >>> lr.formula + 'N₂O₅' + + Find the limiting reagent of the reaction when using 3 moles of the first reactant (N₂O₅) and 1 mole of the second reactant (H₂O): + + >>> lr = r.limiting_reagent(3, 1, mode = 'moles') + >>> lr.formula + 'H₂O₁' \ No newline at end of file