B.0 Arithmetic and numerical computation
- Syllabus
- 2017
- Topic
- —
- Level
- AS
| Move | Question to ask |
|---|---|
| name | What quantity is required, and in which unit? |
| align | Are all inputs in compatible units? |
| calculate | Which relationship produces the required quantity? |
| verify | Do the units cancel to the requested unit, and is the scale plausible? |
\rho=\frac{m}{V}\qquad 1,\mathrm{dm^3}=1000,\mathrm{cm^3}
For a sample of mass 4.75g and volume 5.00cm3, ho=4.75/5.00=0.950gcm−3. Converting the result gives 950gdm−3: the numerical value grows because one cubic decimetre contains 1000 cubic centimetres.
At A2, derive the unit of an equilibrium or rate constant by substituting concentration units into its defining expression. Align energy units before combining quantities: convert entropy from Jmol−1K−1 to kJmol−1K−1 by dividing by 1000 when enthalpy is in kJmol−1.
Never change a number without changing its unit, and do not cancel symbols that represent different physical quantities. A familiar-looking calculator result can still be wrong by a factor of 103 or more when volume or energy units were not aligned.
a\times10^n\quad\text{where}\quad 1\leq |a|<10
| Task | Reliable move |
|---|---|
| ordinary to standard | move the decimal to make a between 1 and 10; count places for n |
| multiply | multiply coefficients and add powers |
| divide | divide coefficients and subtract powers |
| reciprocal | invert the coefficient and change the sign of the power, then renormalise |
0.0050moldm−3=5.0imes10−3moldm−3. Both values have two significant figures: leading zeros locate the decimal point, while the final zero records precision. Conversion of form must not invent or discard significant figures.
Using N=nNA, 0.250molimes6.02imes1023mol−1=1.51imes1023 particles to three significant figures. For reciprocal data, calculate first and then report consistently: 1/48s=0.0208s−1, or 0.021s−1 to two significant figures.
Decimal places and significant figures answer different questions. Keep guard digits during working and round once at the end; typing a power of ten with the wrong sign changes the scale rather than merely the presentation.
| Quantity | Calculation |
|---|---|
| percentage by mass | mass of named part / total mass imes100 |
| percentage yield | actual product / theoretical product imes100 |
| atom economy | Mr of desired product with coefficients / total Mr of products with coefficients imes100 |
| percentage error | ∣extmeasured−extaccepted∣/extacceptedimes100 |
For a compound or polymer repeat unit, write the complete formula first, include every atom, and calculate its total Mr. The carbon contribution is then 12.0imes the number of carbon atoms. In a hydrate, the water contribution includes both its coefficient and Mr(HX2O).
To find an empirical or alloy ratio, convert each mass or percentage to moles, divide every amount by the smallest, then scale to the simplest credible whole-number ratio. Equation coefficients are mole ratios, not mass ratios; balance atoms and charge before using them.
For a mixture, a weighted value is the sum of each fraction times its component value. Convert percentages to fractions or divide the summed percentage products by 100, and check that the result lies between the component values.
The denominator controls the meaning. Percentage yield uses theoretical product, percentage error uses the accepted value, and atom economy includes all stoichiometric products; swapping these wholes can give a plausible but invalid percentage.
| Step | Action |
|---|---|
| simplify | round inputs to one convenient significant figure |
| calculate | combine coefficients and powers of ten mentally |
| bound | decide whether rounding made the estimate high or low |
| compare | reject calculator results with the wrong sign, order of magnitude, unit or physical range |
Estimate (2.8imes109imes0.86)/300 as (3 imes10^9 imes0.9)/(3 imes10^2)pprox9 imes10^6. A detailed answer near 8imes106 is therefore credible; 8imes103 signals a power-of-ten or unit error. Estimation is a check, not the final reported calculation.
For a changed experimental parameter, predict the direction before calculating. Ask which measured terms change and which definition links them. For Kc, temperature can change the equilibrium constant; concentration, pressure or a catalyst may shift composition or rate but do not by themselves change Kc at fixed temperature.
Do not claim whether increasing temperature raises or lowers Kc unless the reaction's thermal direction is known. An estimate need only have the correct scale and direction; excessive precision defeats its checking purpose.
| Operation | Rule |
|---|---|
| powers | 10a10b=10a+b and 10a/10b=10a−b |
| common logarithm | log10(10x)=x |
| inverse log | 10log10x=x |
| calculator check | brackets contain the complete concentration or ratio |
\mathrm{pH}=-\log_{10}[\ce{H+}]\qquad [\ce{H+}]=10^{-\mathrm{pH}}\qquad \mathrm{p}K_a=-\log_{10}K_a
If [HX+]=2.5imes10−3moldm−3, then pH=2.60. If pH=4.20, then [HX+]=6.3imes10−5moldm−3. Substituting back into the inverse relation is a quick calculator-entry check.
At A2, a buffer approximation can be written as pH=pKa+log10([AX−]/[HA]) when its assumptions apply. Use equilibrium concentrations—or amounts only when both species share the same solution volume—and preserve brackets around the complete ratio.
pH, pKa, buffer logarithms and their approximations are full-IAL applications. A logarithm has no unit, and a negative sign or misplaced bracket can reverse the chemical meaning even when the calculator accepts the entry.
| Prefix | Symbol | Factor |
|---|---|---|
| kilo | k | 103 |
| centi | c | 10−2 |
| milli | m | 10−3 |
| micro | μ | 10−6 |
| nano | n | 10−9 |
Replace the prefix by its factor, then convert to the target prefix. For example, 25.0cm3=25.0imes10−3dm3=0.0250dm3, while 150mg=150imes10−3g=0.150g. State the unit at every stage so the direction is visible.
Moving to a smaller unit makes the numerical value larger: 1g=1000mg=106μg. Moving to a larger unit makes it smaller. Use this as a reasonableness check before accepting the exponent.
Apply the scale to the whole unit. A volume conversion is cubic: 1cm=10−2m, so 1cm3=10−6m3. In a denominator, the numerical effect reverses; write the conversion factor rather than relying on a memorised decimal shift.
The prefix symbol is case-sensitive: m means milli, while M is not its interchangeable capital. Do not apply a linear conversion factor directly to an area or volume unit.