BASIC CALCULATIONS

TABLE OF CONTENTS Table of Contents

1.1

Calculations of Number of Moles of a Substance 1.1.1 Relative Atomic Mass 1.1.2 Relative Formula Mass 1.1.3 Mole

1 1 4 5 8 12 12 13 14 15 16 17 18 20 21 21 21 22 24 25

1.2 1.3

Conversion of Percentage by mass to percentage by mole Molarity and Normality of Chemical Solutions 1.3.1 Molarity 1.3.2 Normality

1.4

Stoichiometric Calculations using Chemical Equations 1.4.1 Type of Stoichiometric Problems 1.4.2 Mass Mass stoichiometry 1.4.3 Mass Volume Stoichiometry 1.4.4 Volume Volume Stoichiometry 1.4.5 Exercises

1.5

Material Balance 1.5.1 Material Balance 1.5.2 Material Balance Calculations Process Block Diagrams Defining a System using Block Diagram Multiple Stage Multiple Reactors

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BASIC CALCULATIONS 1.1 CALCULATIONS OF NUMBER OF MOLES OF A SUBSTANCE

Before carrying out such calculations, it is important to define the terms: 1. Relative Atomic Mass 2. Relative Molar Mass 3. Mole 1.1.1 Relative Atomic Mass The Relative Atomic Mass (Ar) of a chemical element gives us an idea of how heavy it feels (the force it makes when a gravity pulls on it). This is defined as the number of times an atom of an element is heavier than a hydrogen atom. Relative atomic Mass of an element =
Mass of one atom of an element Mass of one Hydrogen atom

If you look at the periodic table you can find out the relative atomic masses of the elements. The number at the bottom of the symbol is the Relative Atomic Mass (Ar): Relative Atomic Mass (Atomic weight)

6 12

CARBON Relative atomic mass of carbon is 12 means that 1 carbon (C) atom is 12 times heavier than 1 hydrogen (H) atom. Note: Relative atomic mass is sometimes called atomic mass or atomic weight.
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E XERCISES
1 1

BASIC CALCULATIONS

Given the following below, what are the Relative atomic Masses of these elements:

6 12

8 16

O K

11 23 20 40

Na

12 24

Mg

Hydrogen Carbon

Oxygen

Sodium

Magnesium

16 32

17 35

Cl

19 39

Ca

29 63

Cu

Sulfur

Chlorine

Potassium

Calcium

Copper

1. Oxygen? 2. Copper? 3. Hydrogen? 4. Calcium? 5. Sodium? 6. Sulphur? 7. Chlorine? 8. Carbon?

__________ __________ __________ __________ __________ __________ __________ __________

9. Potassium? __________ 10. Magnesium? __________

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1.1.2 Relative Formula Mass (Molecular Weight) Most atoms exist in molecules. You can use the Relative Atomic Masses of elements to work out the mass of the molecule they make up. To work out the Relative Formula Mass, you simply add up the Relative Atomic Masses (atomic weights) of each atom. Note: Relative Formula Mass is also known as Molecular Weight Example: Find the Relative Formula Mass (Molecular weights) of sulfuric acid, H2SO4. Solution:
Relative Formula Mass = Number of atoms x Relative Atomic Mass

Hydrogen = 2 atoms; Relative atomic mass = 1 Sulfur = 1 atom; Relative atomic mass = 32 Oxygen = 4 atoms; Relative atomic mass = 16 Relative Formula Mass = (2 x 1) + (1 x 32) + (4 x 16) = 98 Or (Remember that Relative Formula Mass is the same as Molecular weight and Relative Atomic Mass is the same as atomic weights) Molecular Weights = Number of atoms x Atomic weights Hydrogen = 2 atoms; atomic weight = 1 Sulfur = 1 atom; atomic weight = 32 Oxygen = 4 atoms; atomic weight = 16

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Molecular weight = (2 x 1) + (1 x 32) + (4 x 16) = 98

E XERCISES

What are the Molecular weights of these molecules: 1. NaCl? 2. H2O? 3. HCl? 4. Cu O? 5. MgCl2? 6. H2S? 7. CaCl2? 8. K2O? 9. Noah? 10. CO2? __________ __________ __________ __________ __________ __________ __________ __________ __________ __________

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1.1.3 Mole A mole is the quantity of a substance whose weight equals the molecular weight of that substance. In SI units, the term gmole (grammole) is used as a unit for the number of moles. Number of moles =
Mass of Substance Molecular weight of Substance

Example: Calculate the number of moles of 80 grams of methane, CH4. Solution: Molecular weight of CH4 = (1 x 12)CARBON + (4 x 1) HYDROGEN = 16 Number of moles =
80 = 5 gmoles 16

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E XERCISES
1. Calculate the number of moles in 120 grams of ethane, C2H6.

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E XERCISES
2. Calculate the mass of 2 gmoles of water, H2O.

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1.2

CONVERSION OF PERCENTAGE BY MASS (% WT) TO PERCENTAGE BY MOLE (% G. moles)

Most materials occur as mixtures of various components. For example, natural gas is a mixture of methane, ethane, propane, butane and etc. The composition of mixtures can be expressed as percent by mass or percent by mole and it is always useful to convert one form to another. Example 1: Natural Gas has the average composition of Component Methane, CH4 Ethane, C2H6 Propane, C3H8 Butane, C4H10 % mass 72 12 10 6

Calculate the composition of natural gas in mole percent. Solution: Basis: 100 grams of Natural Gas (means that 72 % mass of methane = 72 grams) Component Methane, CH4 Ethane, C2H6 Propane, C3H8 Butane, C4H10 Total % mass 72 12 10 6 100
Module I Basic Calculations

Molecular Weight 16 30 44 58

Number of Moles
72 = 4.50 16
12 = 0.40 30 10 = 0.23 44

Mole percent
4.50 x 100 = 5.23
86.0

0.40 x 100 = 5.23

7.6

0.23 x 100 = 5.23

4.4

6 = 0.10 58

0.10 x 100 = 5.23

2.0

5.23

100

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Example 2: Convert the following gas analysis from mole percent to mass percent. Component Methane, CH4 Ethane, C2H6 Nitrogen, N2 Carbon Dioxide, CO2 Solution: Consider 100 gmoles of gas sample Component Methane, CH4 Ethane, C2H6 Nitrogen, N2 Carbon Dioxide, CO2 Total % Molecular Mass mole Weight 82 16 82 x 16 = 1312 10 3.5 4.5 100 30 28 44 10 x 30 = 300 3.5 x 28 = 98 4.5 x 44 = 198 1908 Mass percent
1312 x 100 = 68.80 1908 300 x 100 = 15.70 1908 98 x 100 = 5.10 1908 198 x 100 = 10.40 1908

% mole 82 10 3.5 4.5

100.00

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E XERCISES

BASIC CALCULATIONS

1. Air consists of nitrogen and oxygen, their mole percentage are 79 for nitrogen and 21 for oxygen. Express their mass percent in an air sample.

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E XERCISES
2. A gas has the following compositions Component Methane, CH4 Ethane, C2H6 Propane, C3H8 Butane, C4H10 Express the gas composition in mole percent % mass 64 15 11 10

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1.3

MOLARITY AND NORMALITY OF CHEMICAL SOLUTIONS some

Concentration of solutions can be expressed through quantitative methods. In the basic course we dealt with: a. Percent by mass (% mass, % weight) b. Parts per million (ppm) c. Mass per volume (kgs / lit)

In this lesson, we will deal with other methods of expressing the concentration of solutions. These methods are: 1. Molarity (M) 2. Normality (N) 1.3.1 Molarity (M) Molarity or molar concentration is the number of moles of solute per litre of solution. Molarity (M) =
Moles of Solute Litre of Solution

or it can be written as M=
Mass of Solute Relative Molar Mass x Litre of Solution

or it can be written as
Weight of Solute Molecular weight x Litre of Solution

M=

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Example: Calculate the molarity of an aqueous solution of sodium chloride containing 284 g of NaCl in 2.20 lit of solution. Solution: Weight = 284 grams Molecular weight = (1 x 23)Na + (1 x 35.5)Cl = 58.5 Moles of NaCl = Molarity (M) =
284 Weight of NaCl = = 4.85 gmoles 58.5 Molecular weight of NaCl

Moles of Solute 4.85 gmoles = = 2.205 M Litre of Solution 2.20 Litre

1.3.2 Normality (N) Normality (N) is the number of equivalents of solute per litre of solution. Equivalent: One equivalent is the amount of acid that can give one mole of hydrogen (H+) ions. One equivalent is the amount of a base that can give one mole of hydroxide (OH-) ions. Example 1: One equivalent of H2SO4 = =
Molecular weight of H2 SO 4 Moles of Hydrogen Ions used
Oxygen

(2 x 1)Hydrogen (1 x 32)Sulfur (4 x 16) 2

gmoles

= 49 gequivalents
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Example 2: One equivalent of Ca(OH)2 = =

Molecular weight of Ca(OH)2 Moles of Hydroxide Ions used
Hydrogen

(1 x 40)Calcium (2 x 16)Oxygen (2 x 1) 2

gmoles

= 74 gequivalents Example 3: One equivalent of Na2SO4 =

Molecular weight of Na2 SO 4 Moles of Na to be replaced
Oxygen

(2 x 23)Sodium (1 x 32)Sulfur (4 x 16) 2

gmoles

= 71 gequivalents Calculation of Normality Example: Calculate the normality of an aqueous solution of phosphoric acid containing 275 g of H3PO4 in 1.20 L solution in reactions that replace all three hydrogen ions. Solution: Molecular weight of H3PO4 = (3 x 1)H + (1 x 31)P + (4 x 16)O = 98 gmoles
98 = 32.7 gequivalents 3 274 g Number of equivalents of H3PO4 in solution = = 8.4 32.7 g

One equivalent of H3PO4

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Normality = =

Equivalents of solute litre of solution 8.4 1.2

= 7.00 N 1.4 STOICHIOMETRIC CALCULATIONS USING CHEMICAL EQUATIONS

Stoichiometry deals with calculation about the masses (sometimes volumes) of reactants and products involved in a chemical reaction. There are a number of methods available for solving stoichiometry problems. The method we consider the best is the mole method. Three (3) basic steps are involved. Step 1: Calculate moles of the known Substances

Step 2: Using balanced equation, calculate moles of unknown substances. Step 3: Calculate quantities (mass or volume) of unknowns.

1.4.1 Type of Stoichiometry Problems There are 3 types of stoichiometry problems: 3. 4. 5. Mass Mass (weight weight) Mass Volume or Volume Mass Volume - Volume

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1.4.2 Mass Mass Stoichiometry In this type, quantities are given or asked for in a mass units Example: Calculate the number of grams of oxygen required to burn 72 g of C2H6 to CO2 and H2O. C2H6 + O2 Solution: First write the balanced equation: 2C2H6 + 7O2 Step 1: 4CO2 + 6H2O CO2 + H2O

Calculate moles of C2H6

72 g = 2.4 moles (2 x 12)C (6 x 1)H

Moles of C2H6 =

Step 2:

Calculate the moles of oxygen needed. 4CO2 + 6H2O

From the balanced equation: 2C2H6 + 7O2

2 moles of C2H6 needs 7 moles of oxygen. Therefore, Moles of oxygen needed = 2.4 moles C2H6 x = 8.4 moles O2 Step 3: Calculate the oxygen needed
7 moles O 2 2 moles C 2 H6

Grams of oxygen needed = Moles of O2 x Molecular weight of O2 = 8.4 x 32 = 268.8 grams

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1.4.3 Mass Volume Stoichiometry In these types of problems, either the known or unknown is a gas. Example: Calculate the volume in litres of O2 measured at 0C and 1 ATM which could be obtained by heating 28 g of KNO3. Solution: First write the balanced equation. 2 KNO3 2 KNO2 + O2

Molecular weight of KNO3 = (1 x 39)K + (1 x 14)N + (3 x 16)O = 101 Step 1: Calculate moles of KNO3
28 grams = 0.277 moles 101

Moles of KNO3 =

Step 2:

Calculate the moles of oxygen produced. 2 KNO2 + O2

From the balanced equation: 2 KNO3

2 moles of KNO3 produced 1 mole of oxygen. Therefore, Moles of oxygen produced = 0.277 moles KNO3 x = 0.1386 moles O2 Step 3: Calculate the volume of oxygen produced
1 moles O 2 2 moles KNO 3

At 0C and 1 ATM (STP), 1 mole of O2 occupies 22.4 L Volume of oxygen produced = 0.1386 Moles of O2 x = 3.1 L O2 at STP
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22.4 L 1 mole O 2

BASIC CALCULATIONS

1.4.4 Volume Volume Stoichiometry This is based on Gay Lussacs law of combining volumes which states that At the same temperature and pressure, whenever gases react or form, they do so in the ratio of small whole numbers of volume. Example: CH4 (g) + 2 CO2
(g)

CO2

(g)

+ 2 H2O

All compounds are in the gaseous state and at the same temperature and pressure. 1 volume of CH4 reacts with 2 volumes of O2 to produce 1 volume of CO2 and 2 volumes H2O vapor. The ratios are 1:2:1:2 for CH4:O2:CO2:H2O. in solving volume volume stoichiometry problems, steps 1 and 3 are not necessary; only step 2 is required. Example: Calculate the volume of O2 required and volumes of CO2 and H2O produced from the complete combustion of 1.5 L of C2H6. All Volumes are being measured at 400C and 1 ATM. Solution: Balanced equation: 2 C2H6 + 7 O2 4 CO2 + 6 H2O

(g)

(g)

(g)

(g)

All substances are gases measured at same temperature and pressure.

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7 L of O 2 2 L of C 2 H6
(g)

Volume of O2 needed

= 1.5 L C2H6 x = 5.25 L of O2

Volume of CO2 produced = 1.5 L C2H6 x = 3.0 L of CO2 Volume of H2O produced = 1.5 L C2H6 x = 4.5 L of H2O

4 L of CO2 2 L of C 2 H6
(g)

6 L of H2 O 2 L of C 2 H6
(g)

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E XERCISES
1. 2. 3. 4. 5. Calculate Number of moles in 71 grams of HCl. Mass of 3 gmoles of NaOH. A solution of 10 mass % NaCl. Find mole percent of salt in solution. Mole percent of CaSO4 in hard water = 2.5 % mole. Find mass percent of CaSO4 in hard water. Calculate normality (N) of 12.1 grams of H2SO4 in 750 mL of solution in reactions that replace both hydrogen ions. Calculate the normality of 14.1 grams of Na2SO4 in 625 mL of solution in reactions that replaces both sodium ions. Find the molarity of a solution containing 300 grams of CaCl2 in 500 mL solution. Calculate the number of grams of Zinc chloride that can be prepared from 340 grams of zinc. ZnCl2 (Aq) + H2
(g)

6.

7. 8.

Zn(s) + 2 HCl(Aq) 9. 3 Cl2 10.

How many moles of KCLO3 could be prepared from 24.7 L of Chlorine gas at STP?
(s)

+ 6 KOH(Aq)

KclO3

(Aq)

+ 3 H2

(g)

Assuming STP, how many litres of oxygen are needed to produce 19.8 L of SO3 according to this balance equation?
(g)

2 SO2

+ O2

(g)

2 SO3

(g)

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1.5

MATERIAL BALANCE

A mass and energy balance is a conceptual tool for studying the way in which a process is put together. Applications

Test different design concepts Conduct energy audits of existing and proposed facilities Determine utility requirements for a range of plant operating conditions Calculate raw materials requirements for different product mixes Conduct process change impact studies

Benefits

Optimise process design A mass and energy balance produces a graphical consensus document Optimise energy use

1.5.1 Material Balancing Generally speaking, material balancing is a method of calculating the amounts of substances, called reactants, that must be put into process in order to produce the desired amounts of products. In general the term reactants refers to the starting materials in a chemical reaction. 1.5.2 Material Balance Calculations in a Steady State System In a steady state system the weight or mass of the material at the start of the system is the same as that remaining at the end of the system. A short way of saying this is that the Input equals the Output. The following diagram. Mass input Process Mass output

Mass or weight at start of a process = Mass or weight at the finish of the process.
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The process may well change the chemical composition of the starting material but the relative masses of the process products will still be equal to the masses of the starting materials. In a steady state process the masses in a process will be constant, this means that the masses of the start material will be in BALANCE with masses at the end. Calculations using the start material masses will allow the expected masses of the products to be found. If the final masses are different from the start masses then the process must be leaking or producing unexpected products that are not being weighed. PROCESS BLOCK DIAGRAMS Squares or rectangles are used to indicate a part of the process. This is a simple way to show where in the process reactions are occurring. Mass input Mass output

Process Reactor

Example: Calculation is sugar dissolved into a Tank of water. In the tank is 4m3 of water and 200 kilograms of sugar. The calculation is to find the total mass of sugar solution and the percentage mass of the sugar in the solution. To understand the calculation we make a block diagram of the system similar to the following: The arrows indicate the direction of the process. Sugar 200 kg Water 4000kg This above diagram shows the actions of putting water into a tank and adding sugar. Notice that the start materials sugar and water are on the left and the reactor tank is central with the products on the right. This is the usual format to be used for block diagrams. Arrows indicates the input and output into and from a reactor.
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Tank of sugar solution

Sugar solution 4200kg

BASIC CALCULATIONS

The calculation is simplified by the diagram as 200 kilograms of sugar is weighed into 4 cubic meters of water. One cubic meter of water has a mass of 1000 kilograms. The system is in steady state so the input must equal the output. The total mass is 4 times 1000 plus the 200 kilograms of sugar, which equals 4200 kilograms. Mass of water = 4 m3 Mass of sugar = 200 kg Mass of sugar solution = 4000 kg + 200 kg = 4200 kg The percentage sugar in the sugar solution will be the mass of sugar divided by the total mass of sugar and water. % sugar = % sugar =
mass of sugar 100 mass of sugar mass of water 200 100 = 4.7 % 200 4000
1000 kg = 4000 kg 1 m3

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Defining a System using Block Diagram A continuous process may contain many reaction vessels each having a different input and output value. The total input at the start must still equal the total output at the finish. Each reaction vessel may be described as a square or rectangle with input stated to the left and output on the right. Arrows indicate the direction of the process with the relative input flow rates and output flow rates.

S1 or 100 kg/hr

Reaction Vessel

S3 or 220 kg/hr

S2 or 120 kg/hr S1 = 100 kg/hr S2 = 120 kg/hr S3 = 220 kg/hr MULTIPLE REACTORS A & B 50 m3/hr
A

50 m3/hr
B

110 m3/hr

60 m3/hr

60 m3/hr

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MULTIPLE STAGE MULTIPLE REACTORS Predictions can be made of the flow rates at different stages of a steady state system from flow rates at other reactors.

C E

H B D Flow rates A = 500 m3/hr B = 400 m3/hr C = 450 m3/hr D = 450 m3/hr E = 250 m3/hr F = 250 m3/hr G = 200 m3/hr H = 500 m3/hr I = 200 m3/hr
Module I Basic Calculations

F I

Total input at A + B = output at G + H + I = 900 m3/hr

Total output at C + D = output at G + H + I Flow rate of C G = E Flow rate of D - I = F

and Flow rate E + F = H

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E XERCISES
1. Calculate how much is the Feed as per given in the diagram below. 20 kgs/hr

30 kgs/hr

40 kgs/hr

A Feed =?

60 kgs/hr

2. Feed pretreatment unit in Gas processing plants receives mixture of hydrocarbons with impurities such as water and chlorine gas. Given the data and diagram below, calculate how many hydrocarbon gases in k g s/hr are coming out of the unit.
SEPARATOR PHASE 1 GAS 5 tons/hr HYDROCARBON GAS ? kgs/hr

CHLORIDE SCRUBBER

NaOH solution 25 kgs/hr HYDROCARBON LIQUID 20 tons/hr

ASSOCIATED GAS 20 tons/hr

INLET SEPARATOR

WASTEWATER 40 kgs/hr

PHASE 1 LIQUID 10 tons/hr

DECANTER DRUM WATER 50 kgs/hr WATER 30 kgs/hr

COALESCER DRUM WATER 15 kgs/hr

ADSORBER

WATER 5 kgs/hr

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3. Reflux in the distillation towers provides cooling at the topmost part of the tower and it increases the % yield of high octane fuel. Given the data and diagram below, calculate the reflux rate in tons/hr.

REFLUX ? Tons/hr

REFLUX DRUM

HIGH OCTANE FUEL 27 tons/hr

ATMOSPHERIC PIPESTILL CRUDE OIL 50 tons/hr

STRIPPER

KEROSENE 12 tons/hr

STRIPPER

DIESEL FUEL 5 tons/hr

ASPHALT 2 tons/hr

4. Methyl Tertiary Butyl Ether or MTBE is used as an additive for liquid fuel. It contains 18.2 wt% O2. It is colorless and odorless. It provides easy ignition to vehicles because of its oxygen content. Given the data and diagram below, calculate how many tons/hr of methanol is needed to produce 26 tons/hr of MTBE. Overhead of finishing reactor constitutes unreacted methanol and isobutylene plus side reaction of dimethyl ether. Overhead flowrate is set at 2% of total MTBE flow.
Unreacted METHANOL Unreacted ISOBUTYLENE Dimethyl Ether 2 % of total MTBE Flow

METHANOL ? tons/hr

ISOBUTYLENE 17 tons/hr

STATIC MIXER

MAIN REACTOR

FINISHING REACTOR

MTBE 26 tons/hr

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5. Dehydrogenation is an endothermic reaction. It converts propane into propylene with the presence of a platinum on an alumina base catalyst. Propane is fed to the Oleflex reactor and propylene is the resulting product. Since efficiency is not 100 %, some of the propane are still unreacted. Given the data and diagram below, calculate how much propane is fed into the Oleflex reactor.
CATALYST 100 kgs/hr

Unrelated PROPANE 15 Tons/hr PROPANE ? Tons/hr OLEFLEX REACTOR PROPYLENE 35 Tons/hr

SPENT CATALYST

Hint: See the definition of a catalyst.

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