Chemical Calculations
Chemical Calculations
Chemical Calculations
The Mole
The Mole
For example:
Exam Tip
You need to appreciate that the measurement of amounts in moles can apply to atoms,
molecules, ions, electrons, formulae and equations. E.g. in one mole of carbon (C) the number of
atoms is the same as the number of molecules in one mole of carbon dioxide (CO2).
One mole of any element is equal to the relative atomic mass of that element in grams
This is called the molar mass
If you had 6.02 x 1023 atoms of carbon in your hand, that number of carbon atoms would
have a mass of 12 g (because the Ar of carbon is 12)
So one mole of helium atoms would have a mass of 4 g (Ar of He is 4), one mole of
lithium would have a mass of 7 g (Ar of Li is 7) and so on
To find the mass of one mole of a compound, we add up the relative atomic masses
o So one mole of water would have a mass of (2 x 1) + 16 = 18 g
o So one carbon atom has the same mass as 12 hydrogen atoms
Exam Tip
Remember the key link between moles and mass: one mole of any element is equal to that
elements atomic mass in grams.
Worked Example
o From the periodic table the relative atomic mass of Zn is 65.38
o So, the molar mass is 65.38 g mol-1
o The mass is calculated by moles x molar mass
o This comes to 0.250 mol x 65.38 g mol-1 = 16.3 g
Worked Example
Answer:
o The molar mass of sucrose is 342.3 g mol-1
o The number of moles is found by mass ÷ molar mass
o This comes to 2.64 g ÷ 342.3 g mol-1 = 7.71 x 10-3 mol
Exam Tip
Always show your workings in calculations as its easier to check for errors and you may pick up
credit if you get the final answer wrong.
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Worked Example
Example 1
Calculate the mass of magnesium oxide that can be made by completely burning 6.0 g of magnesium
in oxygen in the following reaction:
Worked Example
Example 2
Calculate the mass of aluminium, in tonnes, that can be produced from 51 tonnes of aluminium
oxide. The equation for the reaction is:
Answer
Balancing Equations using Reacting Masses
If the masses of reactants and products of a reaction are known then we can use them to write
a balanced equation for that reaction
This is done by converting the masses to moles and simplifying to find the molar ratios
Worked Example
Example 3
A student reacts 1.2 g of carbon with 16.2 g of zinc oxide. The resulting products are 4.4 g of carbon
dioxide and 13 g of zinc. Determine the balanced equation for the reaction.
Answer
Exam Tip
These questions look hard but they are actually quite easy to do, as long as you follow the steps and
organise your work neatly.
Remember the molar ratio of a balanced equation gives you the ratio of the amounts of each
substance in the reaction.
Worked Example
64 g of methanol, CH3OH, reacts with 96 g of oxygen gas to produce 88 g of carbon dioxide and 72 g
of water. Deduce the balanced equation for the reaction.
(C = 12, H = 1, O = 16)
Answer
o Calculate the molar masses of the substances in the equation
o Divide the masses present by the molar mass to obtain the number of moles
o The mole ratios are the same as the coefficients in the balanced equation
Exam Tip
The molar ratio of a balanced equation gives you the ratio of the amounts of each substance in the
reaction.
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A chemical reaction does not go on indefinitely and stops when one of the reagents is used up
The reagent that is used up first is the limiting reactant, as it limits the duration of the
reaction and hence the amount of product that a reaction can produce
The one that is remaining is the excess reactant
The limiting reagent is the reactant which is not present in excess in a reaction
The amount of product obtainable is therefore directly proportional to the amount of the
limiting reagent added at the beginning of a reaction
So if you use half of the limiting reagent then you will get half of the product, provided the
other reagents are present in excess. If you double the amount of the limiting reagent then
you obtain double the amount of product
In order to determine which reactant is the limiting reagent in a reaction, we have to consider
the amounts of each reactant used and the molar ratio of the balanced chemical equation
When performing reacting mass calculations, the limiting reagent is always the number that
should be used, as it indicates the maximum possible amount of product that can form
o Once all of a limiting reagent has been used up, the reaction cannot continue
The steps are:
1.
1. Convert the mass of each reactant into moles by dividing by the molar masses
2. Write the balanced equation and determine the molar ratio
3. Look at the equation and compare the moles
Worked Example
In a reaction to produce sodium sulfide, Na 2S, 9.2 g of sodium is reacted with 8.0 g of sulfur. Which
reactant is in excess and which is limiting?
Answer
Exam Tip
For a reactant to be present in excess, there only needs to be slightly more of it present than the other
reactant, as determined from the molar ratio. In a two reactant system, if one reactant is in excess
then the other is by default the limiting reagent.
A common error is to determine the limiting reactant as the reactant with the least amount of moles
in the molar ratio. This is incorrect as the masses of each reactant must also be considered.
Expressing Concentration
A solid substance that dissolves in a liquid is called a solute, the liquid is called a solvent and
the two when mixed together form a solution
Most chemical reactions occur between solutes which are dissolved in solvents, such as water
or an organic solvent
Concentration simply refers to the amount of solute there is in a specific volume of the
solvent
The greater the amount of solute in a given volume then the greater the concentration
A general formula for concentration is thus:
To calculate the concentration of a solution in terms of mass per unit volume, you need to
o Identify the solute and solvent
o Convert the volume units into decimetres cubed
o Divide the mass of the solute by the volume of the solution in decimetres cubed
Worked Example
A student dissolved 10 g of sodium hydroxide, NaOH, in 2 dm 3 of distilled water. Calculate the
concentration of the solution.
Answer
Exam Tip
Be careful when doing volume unit conversions as it is easy to multiply instead of dividing by 1000
and vice-versa. Always ask yourself – is the result going to be a bigger or smaller number than I
started with? Do I get more or fewer cubic decimetres when I convert from cubic centimetres?
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Percentage Yield
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Yield is the term used to describe the amount of product you get from a reaction
In practice, you never get 100% yield in a chemical process for several reasons
These include:
o Some reactants may be left behind in the equipment
o The reaction may be reversible and in these reactions a high yield is never possible
as the products are continually turning back into the reactants
o Some products may also be lost during separation and purification stages such as
filtration or distillation
o There may be side reactions occurring where a substance reacts with a gas in the air
or an impurity in one of the reactants
o Products can also be lost during transfer from one container to another
Actual & Theoretical Yield
Exam Tip
Although it’s very rare that they are equal, an efficient and well managed chemical process will
produce an actual yield that is close to the theoretical yield.
Worked Example
Worked Example
Answer
o Actual yield of copper(II)sulfate = 1.6 g
o Percentage yield of copper(II)sulfate = (1.6 / 2.0) x 100
o Percentage yield = 80%
Exam Tip
The actual yield can be determined by experiment only, while the theoretical yield can be calculated
assuming there is 100% conversion of reactants to products.
We can obtain theoretical masses of products using a balanced equation and a given mass of
reactant
The process is as follows:
1.
1. Write out the balanced equation for the reaction(if not already given in the question)
2. Convert the given mass of reactant(s) into moles, by dividing the masses by the molar
masses
3. Use the coefficients(multipliers) in the equation to deduce the number of moles of the
product(s)
4. Convert the moles of product into mass by multiplying by the molar mass
Worked Example
In an experiment to displace copper from copper(II)sulfate, 6.5g of zinc was added to a solution of
copper(II)sulfate. The copper was filtered off, washed, dried and weighed. the final mass of copper
obtained was 4.8 g. Calculate the percentage yield of copper.
Answer
Exam Tip
The key to success in all calculations is to have a methodical step-by-step approach and show all
your workings. Be careful when working out the molar masses not to include coeffiecients. It is very
easy to make the mistake of calculating the molar mass of magnesium oxide as 80 g instead of 40 g,
when working from an equation:
Remember that molar masses are calculated from chemical formulae, not from equations
Along with the percentage yield, atom economy is used to analyse the efficiency of reactions
Most reactions produce more than one product and very often some of them are not useful
Atom economy studies the amount of reactants that get turned into useful products
It illustrates what percentage of the mass of reactants become useful products
It is used extensively in the analysis of systems and procedures in industries, in an effort to
obtain sustainable development
It is also a very important analysis for economic reasons as companies prefer to use
processes with higher atom economies
The higher the atom economy of a process then the more sustainable that process is
The equation for calculating atom economy is:
Worked Example
Hydrogen gas is obtained from methane in a process called steam-methane reforming. The reaction is
as follows:
Exam Tip
Unwanted byproducts can sometimes be put to use so although a low atom economy is a sign that a
process is not green (sustainable) it doesn’t necessarily imply that the process is not economically
viable.
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Reactions that have low atom economies use up a lot of resources and produce a lot of waste
material which then needs to be disposed of, a very expensive procedure
These reactions are thus unsustainable as they use up too much raw material to manufacture
only a small amount of product
They are not economically attractive as raw materials tend to be expensive, as does waste
disposal which requires chemicals, equipment, space and transport
Companies continually analyse reactions and processes and evaluate several factors in an
effort to improve efficiency
Atom economy, percentage yield, rates of reaction and equilibrium position are important
factors which need to be considered when choosing a reaction pathway
High percentage yields and fast reaction rates are desirable attributes in industrial chemical
processes
In reversible reactions, the position of the equilibrium may need to be changed in favour of
the products by altering reaction conditions
If the waste products can be sold or reused in some way that would improve the atom
economy
Alternative methods of production could also be considered that may produce a more useful
by-product
Exam Tip
Look for information on percentage yield, atom economy, rate and equilibria in questions on this
topic. Your answer should then be based on evaluating (for example by comparing the pros and cons
of) this information.
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It is more useful to a chemist to express concentration in terms of moles per unit volume rather
than mass per unit volume
Concentration can therfore be expressed in moles per decimetre cubed
We can modify the concentration formula to include moles
o The units in the answer can be written as mol dm -3 or mol / dm3:
You may have to convert from g dm-3 into mol dm-3 and vice versa depending on the question
o To go from g dm-3 to mol dm-3:
Divide by the molar mass in grams
o To go from mol dm-3 to g dm-3:
Multiply by the molar mass in grams
Exam Tip
Solving problems on concentrations involves carefully working out moles and volumes in the
correct units and applying the concentration formula
Some students find formula triangles help them to understand the relaitonship:
The concentration-moles formula triangle can help you solve these problems
Worked Example
Example 1
Calculate the amount of solute, in moles, present in 2.5 dm3 of a solution whose concentration is
0.2 mol dm-3.
Answer
Worked Example
Example 2
Calculate the concentration of a solution of sodium hydroxide, NaOH, in mol dm-3, when 80 g is
dissolved in 400 cm3 of water.
Answer
Titration Calculations
If the concentration of one of the reactants is known (either the acid or the base), then
the exact volumes from a titration along with the balanced chemical equation for the reaction
can be used to calculate the concentration of the other reactant
Worked Example
Example 3
25.0 cm3 of a solution of 0.05 mol dm-3 sodium carbonate was completely neutralised by 20.00
cm3 of dilute hydrochloric acid. Calculate the concentration of the hydrochlroric acid in mol cm-3
Answer
Exam Tip
You are not given the concentration-moles formula triangle in exams so you have to learn it. It is
a good idea to write it down before you start a problem, so you get all the parts in the correct
place.
TEST YOUR
If the volume is given in cm3 instead of dm3, then divide by 24,000 instead of 24:
Formula triangle showing the relationship between moles of gas, volume in cm 3 and the molar
volume
The formula can be used to calculate the number of moles of gases from a given volume or
vice versa
Simply cover the one you want and the triangle tells you what to do
You may be asked to calculate the volume of a gas from a given amount stated in grams
instead of moles
To answer these type of questions you must first convert grams to moles and then calculate
the volume.
Worked Example
Example 1
Answer
A second style of gas calculation involves calculating the volumes of gaseous reactants and
products from a balanced equation and a given volume of a gaesous reactant or product
These problems are straightforward as you are applying Avogadro’s Law, so the moles ( and
cofficients) in equations are in the same ratio as the gas volumes
Worked Example
Example 2
The complete combustion of propane gives carbon dioxide and water vapour as the products
Determine the volume of oxygen needed to react with 150 cm 3 of propane and the total volume of the
gaseous products
Answer
o The balanced equation shows that 5 moles of oxygen are needed to completely react
with 1 mole of propane
o Therefore the volume of oxygen needed would be = 5 moles x 150 cm 3 = 750 cm3
o The total number of moles of gaseous products is = 3 + 4 = 7 moles
o The total volume of gaseous products would be = 7 moles x 150 cm3 = 1050 cm3
Exam Tip
Make sure you use the correct units as asked by the question when working through reacting gas
volume questions.
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