8 CHEMICAL QUANTITIES 8.1 Relationship between Compounds in Chemical Equations A balanced chemical equation provides the proportions by which compounds react in the chemical reaction. Thus, for example, in the combustion of glucose, the balanced chemical reaction C6H12O6 + 6 O2 6 CO2 + 6 H2O shows that the combustion of 1 molecule C6H12O6 requires 6 molecules of O2 for complete combustion, producing 6 molecules CO2 and 6 molecules H2O. The equation shows only the proportions in which the chemicals react in this equation. Thus, if there are 2 molecules of C6H12O6 , 6 x 2 molecules of O2 will be required and 6 x 2 molecules each of CO2 and H2O will be produced. In fact, any number of molecules of glucose, n, will require (6n) molecules O2 to effect a combustion and will produce (6n) molecules each of CO2 and H2O. These proportions can be used as conversion factors to calculate the quantities of all chemicals that appear in a chemical equation. This is known as stoichiometry from the Greek stoichion meaning element and metric meaning measurement. In stoichiometric calculations, you will always be provided with the quantity of one or more chemicals appearing in the chemical equation. From this data, you will be required to calculate the quantities of the other compounds that appear in the equation. The steps involved are as follow: Mass of one or more compounds in the reaction Moles Divide by the Molar mass of the given Note: Moles of other compounds in the chemical equation Relate the proportions by which the chemicals react according to the chemical equation Mass of the other compounds Multiply by the Molar mass of the other compounds 1. Always ensure that the equation is balanced first. 2. Proceed with calculations by always working with moles [because reactions are based on reactions between molecules (and moles are a packet of molecules)]. Example: Calculate the mass of oxygen required to burn 43.9 g glucose. How much carbon dioxide and water will be produced? Step 1: Write the balanced chemical equation C6H12O6 + 6 O2 6 CO2 + 6 H2O Step 2: Calculate the number of moles of the given chemical, in this case, glucose i) The molecular mass of glucose is: –1 6 (12.011 g C) + 12 (1.008 g H) + 6 (16.00 g O) = 180.16 g mol page 61 ii) nC6 H12 O6 = 43.9 g C6 H12 O6 FG 1 mol C H O IJ = 0.244 mol C H . gC H O K H 18016 12 6 6 6 12 6 12 O6 6 Step 3: Calculate the related quantities of the other chemicals by using the proportions expressed in the balanced chemical equation i) Moles of the other compounds in the chemical equation 6 mol O2 = 1.46 mol O2 1 mol C6 H12 O6 nO = 0.244 mol C6 H12 O6 2 nCO = 0.244 mol C6 H12 O6 6 mol CO2 = 1.46 mol CO2 1 mol C6 H12 O6 nH O = 0.244 mol C6 H12 O6 6 mol H 2 O = 1.46 mol H 2 O 1 mol C6 H12 O6 2 2 ii) Mass of the other compounds in the chemical equation Molecular masses: –1 O2 = 2 (16.00) = 32.00 g mol CO2 = (12.011) + 2 (16.00) = 44.01 g mol H2O = 2 (1.008) + (16.00) = 18.02 g mol mH 2 O –1 FG 32.00 g O IJ = 46.8 g O H mol K F 44.01 g CO IJ = 64.3 g CO . mol CO G = 146 H mol K F 18.02 g H O IJ = 26.3 g H O . mol H OG = 146 H mol K 2 . mol O2 mO2 = 146 mCO2 –1 2 2 2 2 2 2 2 Note that mass has been conserved: Total mass of reactants = 43.9 g C6H12 O6 + 46.8 g O2 = 90.7 g Total mass of product = 64.3 g CO2 + 26.3 g H2O = 90.6 g (the small discrepancy is due to round off errors and illustrates the need for using judgement in applying significant figures). The point is that if the mass of one substance in a chemical equation is known, it determines the masses of all other chemicals in the reaction. page 62 Example: Calculate the mass of chlorine required to react with 84.453 g iron. How much iron (III) chloride will be produced? Step 1: Build the balanced chemical reaction. Skeleton equation: Fe (s) + Cl2 (g) Balanced equation: 2 Fe (s) + 3 Cl2 (g) FeCl3 (s) 2 FeCl3 (s) Step 2: Calculate the number of moles of the given material. n Fe = 84.453 g Fe FG 1 mol Fe IJ = 1512 . mol Fe . g Fe K H 5585 Step 3: Calculate the number of moles of the other chemicals in the equation. FG 3 mol Cl IJ = 2.268 mol Cl H 2 mol Fe K F 2 mol FeCl IJ = 1512 . = 1512 mol FeG H 2 mol Fe K . mol FeCl3 2 . nCl = 1512 mol Fe 2 n FeCl 2 3 3 Step 4: Calculate the masses i) Calculate the molar masses –1 Cl2 = 2 (35.453) = 70.906 g mol FeCl3 = (55.85) + 3 (35.453) = 162.21 g mol ii) –1 Calculate their masses FG 70.906 mol Cl IJ = 160.8 g Cl H mol Cl K F 162.21 g IJ = 245.3 g FeCl mol FeCl G = 1512 . 3 H mol FeCl K 2 mCl = 2.268 mol Cl2 2 mFeCl 3 2 2 3 3 page 63 Example: How many grams of hydrogen are needed to react completely with 75.4327 g nitrogen? How many gram of ammonia will be produced? Step 1: Build the balanced chemical reaction. Skeleton equation: N2 (g) + H2 (g) Balanced equation: N2 (g) + 3 H2 (g) NH3 (g) 2 NH3 (g) Step 2: Calculate the number of moles of the given material. Molar mass of N2 = 2 (14.0067) = 28.0134 g mol–1 n N 2 = 75.4327 g N 2 FG 1 mol N IJ = 2.69274 mol N H 28.0134 g N K 2 2 2 Step 3: Calculate the number of moles of the other chemicals in the equation. FG 3 mol H IJ = 8.07821 mol H H 1 mol N K F 2 mol NH IJ = 5.38547 mol NH = 2.69274 mol N G H 1 mol N K 2 n H = 2.69274 mol N 2 2 n NH 2 2 3 2 3 3 2 Step 4: Calculate the masses i) Calculate the molar masses H2 = 2 (1.00797) = 2.01594 g mol –1 –1 NH3 = (14.0067) + 3 (1.00797) = 17.0306 g mol ii) Calculate their masses FG 2.01594 g IJ = 16.2852 g H H mol H K F 17.0306 g IJ = 917178 = 5.38547 mol NH G H mol NH K . g NH mH = 8.07821 mol H2 2 m NH 3 2 2 3 3 3 page 64 8.2 Limiting Reactants Example: What mass of aluminum is required in the single displacement reaction of 21.4 g iron (III) oxide? What mass of products are formed? Atomic Mass: Step 1: Al = 26.98 Fe = 55.85 Write the balanced chemical equation Fe2O3 (s) + 2Al (s) Step 2: O = 16.00 2Fe (s) + Al2O3 (s) Calculate the number of moles of the given compound Fe2O3 = 2 x (55.85) + 3 x (16.00) = 159.70 Molar Mass Al2O3 = 2 x (26.98) + 3 x (16.00) = 101.96 nFe O = 21.4 g Fe2 O3 2 3 Step 3: mol = 0.134 mol Fe2 O3 159.70 g Fe2 O3 Calculate the number of moles of the other compounds in the chemical equation nAl = 0.134 mol Fe2 O3 2 mol Al = 0.268 mol Al 1 mol Fe2 O3 nFe = 0.134 mol Fe2 O3 2 mol Fe = 0.268 mol Fe 1 mol Fe2 O3 nAl O = 0.134 mol Fe2 O3 2 3 Step 4: 1 mol Al2 O3 = 0.134 mol Al2 O3 1 mol Fe2 O3 Calculate the mass of the other compounds in the chemical equation Al2O3 = 2 x (26.98) + 3 x (16.00) = 101.96 Molar Mass mAl = 0.268 mol Al 26.98 g Al mol = 7.23 g mFe = 0.268 mol Fe 55.85 g Fe mol = 15.0 g mAl O = 0.134 mol Al2 O3 2 3 101.96 g Al2 O3 mol = 13.7 g In this example, 7.23 g of Al were required to completely react with the 21.4 g Fe2O3. Suppose however, that when we were weighing out the reactants, instead of 7.23 g Al we weighed out 7.52 g Al. Clearly we have more Al than we need – thus when all the Fe2O3 is used up there would remain (7.52 – 7.23) g Al = 0.29 g Al. The Al is said to be in excess (there is too much Al). Another way of saying this is that Fe2O3 limits the amount of product. That is, Fe2O3 is the limiting reactant. We will run out of Fe2O3 before the Al is all used up, so the amount of Fe2O3 will determine the amount of product obtained. In any stoichiometry problem, it is necessary to determine which reactant is limiting. There is one definitive clue that you are dealing with a limiting reactant problem: Whenever you are given the quantities of more than one reactant, the problem is a limiting reactant one. page 65 Example: When 36.127 g benzene, C6H6 , is burnt in 115.723 g oxygen, how much product is formed? Atomic Mass: H = 1.00797 C = 12.011 O = 15.9994 The steps in the solution are identical to the stoichiometry problems solved previously. There is only one additional step – to determine the limiting reactant through an extra calculation. Step 1: Write the balanced chemical equation 2 C6H6 (l) + 15 O2 (g) Step 2: 12 CO2 (g) + 6 H2O (l) Calculate the number of moles of the given compounds Molar Masses: C6H6 = 6 × (12.011) + 6 × (1.00797) = 78.114 O2 = 2 × (15.9994) = 31.9988 CO2 = (12.011) + 2 × (15.9994) = 44.010 H2O = 2 × (1.00797) + (15.9994) = 18.0153 nC H = 36.127 g C6 H 6 6 6 nO = 115.723 g O2 2 Step 3: mol = 0.46249 mol 78.114 g mol = 3.61648 mol 31.9988 g Calculate the number of moles of the other compounds in the chemical equation. To do this we follow the schematic outlined in the following schematic diagram. + 2 C6H6 (l) Moles of C6H6 15 O2 (g) Moles of O2 12 CO2 (g) + 6 H2O (l) Use the moles of the Limiting Reactant to determine the quantities of produce Use mole ratios to determine the Limiting Reactant Mole of the Limiting Reactant Determine the Limiting Reactant. Assume that one of the reactants is limting. On the basis of the amount of this reactant, calculate the quantity of the other reactant needed. For no real reason, let us choose C6H6 . We now ask: On the basis of 0.46249 mol C6H6 , how much oxygen are required? nO2 = 0.46249 mol C6 H 6 15 mol O2 = 3.4687 mol O2 are required 2 mol C6 H 6 Now we compare the value of O2 required (3.4687 mol), with the amount of O2 that we actually have (i.e., 3.61648 mol). page 66 In this problem, we actually have more oxygen than we need. Thus, we have a basis for judging whether we have established the limiting reactant. Moles of O2 available 3.61648 mol Moles of O2 required 3.4687 mol Since we have more O2 than is actually needed, the C6H6 will be used up before the oxygen. Therefore, C6H6 is the limiting reactant. The amount of C6H6 initially present will determine the amount of product obtained. Step 4: Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. nO = 3.61648 3.4687 = 0.1478 mol 2 nCO = 0.46249 mol C6 H 6 12 mol CO2 = 2.7749 mol CO2 2 mol C6 H 6 nH O = 0.46249 mol C6 H 6 6 mol CO2 = 1.3875 mol H 2 O 2 mol C6 H 6 2 2 Step 5: Calculate the masses of the other compounds at the end of the reaction. mO = 0.1478 mol O2 2 31.9988 g O2 = 4.733 g O2 mol O2 mCO = 2.7749 mol CO2 44.010 g CO2 = 122.13 g CO2 mol CO2 mH O = 1.3875 mol H 2 O 18.0153 g H 2 O = 24.996 g H 2 O mol H 2 O 2 2 Thus, at the end of the reaction, there will be no C6H6, there will remain 4.733 g O2 , and 122.13 g CO2 and 24.996 g H2O. page 67 Example: Calculate the amount of each compound remaining after 5.00 g each of hydrogen and oxygen are reacted to form water? Atomic Mass: Step 1: H = 1.00797 O = 15.9994 Write the balanced chemical equation 2 H2 (l) + O2 (g) Step 2: 2 H2O (l) Calculate the number of moles of the given compounds Molar Masses: H2 = 2 × (1.008) = 2.016 O2 = 2 × (16.00) = 32.00 H2O = 2 × (1.008) + (16.00) = 18.02 Step 3: nH 2 = 5.00 g H 2 mol = 2.48 g H 2 2.016 g H 2 nO2 = 5.00 g O2 mol = 0.156 g O2 32.00 g O2 Determine the Limiting Reactant. Assume H2 is the Limiting Reactant. Then the number of moles of O2 required to react completely with all the H2 is: nO2 = 2.48 mol H 2 1 mol O2 = 1.24 mol O2 2 mol H 2 Actual moles of O2 = 0.156 mol < 1.24 mol O2 needed. There is not enough O2 to react with all the H2 . Therefore O2 must be the Limiting Reactant. The Limiting Reactant will determine how much product remains. Step 4: Calculate the number of moles of the other compounds in the chemical equation at the end of the reaction based on the Limiting Reactant. nH = moles H 2 initially present moles H 2 used up = 2.48 0.156 mol O2 2 nH O = 0.156 mol O2 2 Step 5: 2 mol H 2 = 2.17 mol H 2 remains 1 mol O2 2 mol H 2 O = 0.312 mol H 2 O 1 mol O2 Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. mH = 2.17 mol 2 2.016 g = 4.37 g H 2 mol mH O = 0.312 mol 2 18.02 g = 5.62 g H 2 O mol page 68 Example: If 20.0 g aluminum is reacted with 15.0 g oxygen, how much aluminum oxide will be obtained? Atomic Mass: Step 1: Al = 26.98 O = 16.00 Write the balanced chemical equation 4 Al (s) + 3 O2 (g) Step 2: 2 Al2O3 (s) Calculate the number of moles of the given compounds Molar Mass O2 = 2 x (16.00) = 32.00 Al2O3 = 2 x (26.98) + 3 x (16.00) = 101.96 nAl = 20.0 g Al mol = 0.741 mol Al 26.98 g Al nO = 15.0 g O2 mol = 0.469 mol O2 32.00 g O2 2 Step 3: Step 3: Determine the Limiting Reactant. Assume Al is the Limiting Reactant. Then the number of moles of O2 required to completely react with all the Al is: nO = 0.741 mol Al 2 3 mol O2 = 0.556 mol O2 are required 4 mol Al Compare the number of moles O2 that are actually present with the number of moles O2 that are required” 0.467 mol O2 are given < 0.556 mol O2 are required. There are not enough moles O2 initially present so O2 must be the Limiting Reactant. Step 4: Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. nAl = moles Al initially present moles Al used up = 0.741 0.469 mol O2 nAl O = 0.469 mol O2 2 3 Step 5: 4 mol Al = 0.116 mol Al remains 3 mol O2 2 mol Al2 O3 = 0.313 mol Al2 O3 3 mol O2 Calculate the mass of the other compounds in the chemical equation mAl = 0.116 mol Al 26.98 g Al =3.13 g Al mol Al nAl O = 0.313 mol Al2 O3 2 3 101.96 g Al2 O3 = 31.9 g Al2 O3 mol Al2 O3 page 69 8.3 Percent Yield In the preceding stoichiometric calculations, given a certain mass of reactants, we are asked to calculate the amount of product we expect to get. This expected value for the amount of product is known as the theoretical yield as it is achieved by calculations based on a theoretical relationship between moles of reactants and products described by the balanced chemical equation (i.e., obtained through the stoichiometric calculations carried out above). If the reaction is actually carried out in the lab, a certain experimental value for the mass of product will be obtained. This lab value for the mass is known as the actual yield or the experimental yield. In an ideal world, real life and theory are one and the same, so that the actual yield and the theoretical yield should be the same. In real life however, many things can go improperly so that losses may be incurred, serving to reduce the actual yield (or the product may be contaminated with impurities raising the apparent mass of product, thereby increasing the apparent actual yield). Thus, chemists usually report a percent yield: Percent Yield = Actual Yield 100% Theoretical Yield This is the ratio of what you got to what you should have gotten. Thus for example, in the preceding problem where 20.0 g Al are reacted with 15.0 g O2 , we calculated that 31.9 g Al2O3 would be expected. The 31.9 g Al2O3 are the theoretical yield. If the experiment was actually carried out, and 31.1 g Al2O3 were obtained then: % yield = 31.1 g 100% = 97.5% 31.9 g Example: In the following (unbalanced) reaction NH3 (g) + O2 (g) NO (g) + H2O (l) , 16.5 g NH3 is allowed to react with 33.0 g O2 to produce 21.3 g nitrogen monoxide. Calculate the theoretical yield and the percent yield. Atomic Mass: Step 1: H = 1.008 N = 14.007 Write the balanced chemical equation 4 NH3 (g) + 5 O2 (g) Step 2: O = 16.00 4 NO (g) + 6 H2O (l) , Calculate the number of moles of the given reactants O2 = 2 x (16.00) = 32.00 Molar Mass NH3 = (14.007) + 3 x (1.008) = 17.031 NO = (14.007) + (16.00) = 30.01 H2O = 2 × (1.008) + (16.00) = 18.02 nNH = 16.5 g NH 3 3 nO = 33.0 g O2 2 mol = 0.969 mol 17.031g mol = 1.03 mol 32.00 g page 70 Step 3: Determine the Limiting Reactant. Assume NH3 is the Limiting Reactant. Then the number of moles of O2 required to completely react with all the NH3 is: nNH3 = 0.969 mol NH 3 5 mol O2 = 1.21 mol O2 are required 4 mol NH 3 Compare the number of moles O2 that are actually present with the number of moles O2 that are required” 1.03 mol O2 are given < 1.21 mol O2 are required. There are not enough moles O2 initially present so O2 must be the Limiting Reactant. Step 4: Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. nNH = moles NH 3 initially present moles NH 3 used up = 0.969 1.03 mol O2 3 nNO = 1.03 mol O2 4 mol NH 3 = 0.145 mol NH 3 remains 5 mol O2 4 mol NO = 0.824 mol NO 5 mol O2 6 mol H 2 O = 1.24 mol H 2 O 5 mol O2 Calculate the mass of the other compounds in the chemical equation nH O = 1.03 mol O2 2 Step 5: Step 6: mNH3 = 0.145 mol Al 17.031 g =2.47 g NH 3 mol mNO = 0.824 mol NO 30.01 g =24.7 g NO mol mH 2O = 1.24 mol H 2 O 18.02 g = 22.3 g H 2 O mol Calculate the % yield Theoretical yield = 24.8 g NO Actual yield = 21.3 g NO % yield = 21.3 g 100% = 86.2% 24.7 g page 71 Example: Nitrogen gas and hydrogen gas react to produce ammonia gas according to the unbalanced reaction N2 ( g ) + H2 ( g ) NH3 ( g ) . When 25.00 g each of nitrogen and hydrogen were reacted at a certain temperature and pressure, 25.00 g of ammonia were found to have formed. Calculate the percentage yield. Atomic Mass: H = 1.008 N = 14.007 Step 1: Write the balanced chemical equation Step 2: N2 ( g ) + 3 H 2 ( g ) 2 NH3 ( g ) . Calculate the number of moles of the given compounds H2 = 2 x (1.008) = 2.016 Molar Mass N2 = 2 x (14.007) = 28.014 NH3 = (14.007) + 3 x (1.008) = 17.031 nH = 25.00 g H 2 mol = 12.40 mol H 2 2.016 g H 2 nN = 25.00 g N 2 mol = 0.8924 mol N 2 28.014 g H 2 2 2 Step 3: Determine the Limiting Reactant. Assume N2 is the Limiting Reactant. Then the number of moles of H2 required to completely react with all the N2 is: n H2 = 0.8924 mol N 2 FG 3 mol H IJ = 2.677 mol H H 1 mol N K 2 2 are required 2 Compare the number of moles H2 that are actually present with the number of moles H2 that are required” 12.4 mol H2 are given > 2.677 mol H2 are required. There are enough moles H2 initially present so N2 is the Limiting Reactant as was assumed. Step 4: Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. nH = 12.40 mol H 2 given 2.677 mol H 2 required = 9.72 mol H 2 remain 2 2 mol NH 3 = 1.785 mol NH 3 1 mol N 2 Calculate the mass of the compounds in the chemical equation at the end nNH = 0.8924 mol N 2 3 Step 5: mH = 9.72 mol H 2 2 2.016 g H 2 = 19.6 g H 2 mol mNH = 1.785 mol NH 3 3 Step 6: 17.031 g NH 3 = 30.40 g NH 3 mol Calculate the % yield Theoretical yield = 30.40 g NH3 Actual yield = 25.00 g NH3 % yield = 25.00 100% = 82.24% 30.40 page 72 Example: If 49.8 g Fe3O4 is mixed with 10.0 g C and they react according to the following unbalanced equation, Fe3O4 (s) + C (s) Fe (s) + CO (g), calculate the mass of CO produced if the yield was 76.5%. Atomic Mass: Step 1: C = 12.011 O = 16.00 Write the balanced chemical equation Fe3O4 (s) + 4 C (s) Step 2: Fe = 55.85 3 Fe (s) + 4 CO (g), Calculate the number of moles of the given compounds Molar Mass CO = (12.011) + (16.00) = 28.01 Fe3O4 = 3 x (55.85) + 4 (16.00) = 231.55 nFe O = 49.8 g Fe3O4 3 4 nC = 10.0 g C Step 3: mol = 0.215 mol Fe3O4 231.55 g mol = 0.833 mol C 12.011 g Determine the Limiting Reactant. Assume Fe3O4 is the Limiting Reactant. Then the number of moles of C required to completely react with all the Fe3O4 is: nC = 0.215 mol Fe3O4 FG 4 mol C IJ = 0.860 mol C required H 1 mol Fe O K 3 4 Compare the number of moles C that are actually present with the number of moles C that are required” 0.832 mol C are given > 0.860 mol C are required. There are not enough moles C initially present so C is the Limiting Reactant. Step 4: Based on the Limiting Reactant, calculate the number of moles of the other compounds at the end of the reaction. nFe3O4 = 0.215 mol Fe3O4 present 0.833 mol C Step 5: 1 mol Fe3O4 = 0.007 mol Fe3O4 remain 4 mol C nFe = 0.833 mol C 3 mol Fe = 0.624 mol Fe 4 mol C nCO = 0.833 mol C 4 mol CO = 0.833 mol CO 4 mol C Calculate the mass of the compounds in the chemical equation at the end mFe3O4 = 0.007 mol Fe3 O4 mFe = 0.624 mol Fe mCO = 0.833 mol CO 231.55 g = 2 g Fe3 O4 mol 55.85 g = 34.9 g Fe mol 28.01 g = 23.3 g CO mol page 73 Step 6: Calculate the actual yield % yield = Actual yield 100% Theoretical yield Rearranging this equation: Theoretical yield 100% 23.3 g CO Actual yield = (76.5%) = 17.8 g CO 100% Actual yield = (% yield ) page 74