Module 9001

Mass Balance

Paul Ashall, 2008

The accounting of all mass in a

chemical/pharmaceutical process is referred
to as a mass (or material) balance.

Paul Ashall, 2008

Uses
day to day operation of process for
monitoring operating efficiency
Making calculations for design and
development of a process i.e. quantities
required, sizing equipment, number of items
of equipment

Paul Ashall, 2008

Simple example batch mixing

process
200 kg of a 40% w/w methanol/water solution
is mixed with 100 kg of a 70% w/w
methanol/water solution in a batch mixer
unit.
What is the final quantity and composition?

Paul Ashall, 2008

continued
Total initial mass = total final mass = 300 kg
Initial methanol mass = final methanol mass
80 + 70 = final methanol mass = 150 kg
Therefore final composition of batch is
(150/300) x 100 = 50 % by wt.

Paul Ashall, 2008

Exercise
1000 kg of 8% by wt. sodium hydroxide
(NaOH) solution is required. 20% sodium
hydroxide solution in water and pure water
are available. How much of each is
required?

Paul Ashall, 2008

Batch processes
Batch processes operate to a batch cycle and
are non-steady state. Materials are added to
a vessel in one operation and then process is
carried out and batch cycle repeated.
Integral balances are carried out on batch
processes where balances are carried out on
the initial and final states of the system.
Paul Ashall, 2008

Batch cycle
Sequence of operations/steps repeated
according to a cycle
Batch cycle time
Batch size

Paul Ashall, 2008

Simple batch reaction cycle

3 steps
Add reactants etc

reaction

Empty reactor
Next cycle

Start cycle t=0

t, finish cycle

Paul Ashall, 2008

Continuous processes
These processes are continuous in nature and
operate in steady state and balances are
carried out over a fixed period of time.
Materials enter and leave process
continuously.

Paul Ashall, 2008

Law of conservation of mass

When there is no net accumulation or
depletion of mass in a system (steady state)
then:
Total mass entering system = total mass
leaving system
or total mass at start = total final mass
Paul Ashall, 2008

General mass balance equation

Input + generation output consumption =
accumulation

Notes: 1. generation and consumption terms refer only to generation of

products and consumption of reactants as a result of chemical reaction.
If there is no chemical reaction then these terms are zero.
2. Apply to a system
3. Apply to total mass and component mass

Paul Ashall, 2008

Definitions

System arbritary part or whole of a system

Steady state/non-steady state
Accumulation/depletion of mass in system
Basis for calculation of mass balance (unit
of time, batch etc)
Component or substance
Paul Ashall, 2008

Exercise
1000 kg of a 10 % by wt. sodium chloride
solution is concentrated to 50 % in a batch
evaporator. Calculate the product mass and
the mass of water evaporated from the
evaporator.

Paul Ashall, 2008

Mixing of streams
F2
F1
F4

F3

Paul Ashall, 2008

Example
Calculate E and x
evaporator feed E, composition x%

Fresh feed 1000kg, 15%

by wt sodium hydrogen carbonate

Recycle stream 300 kg, 10% satd. soln.

Paul Ashall, 2008

Flowsheets
Streams
Operations/equipment sequence
Standard symbols

Paul Ashall, 2008

Flowsheets
Process flow diagram
PID

Paul Ashall, 2008

Typical simple flowsheet

arrangement
Recycle of unreacted material

reactor

Fresh feed
(reactants, solvents,
reagents, catalysts etc)

Separation &
purification

waste

Paul Ashall, 2008

product

Byproducts/coproducts

Exercise
A 1000 kg batch of a pharmaceutical powder
containing 5 % by wt water is dried in a
double cone drier. After drying 90 % of the
water has been removed. Calculate the final
batch composition and the weight of water
removed.

Paul Ashall, 2008

Exercise batch distillation

1000 kg of a 20% by wt mixture of acetone in
water is separated by multistage batch
distillation. The top product (distillate)
contains 95% by wt. acetone and the still
contains 2% acetone. Calculate the amount
of distillate.

Paul Ashall, 2008

Use of molar quantities

It is often useful to calculate a mass balance
using molar quantities of materials and to
express composition as mole fractions or
mole %.
Distillation is an example, where equilibrium
data is often expressed in mole fractions.

Paul Ashall, 2008

Molar units
A mole is the molecular weight of a substance
expressed in grams
To get the molecular weight of a substance you need
its molecular formula and you can then add up the
atomic weights of all the atoms in the molecule
To convert from moles of a substance to grams
multiply by the molecular weight
To convert from grams to moles divide by the
molecular weight.
Mole fraction is moles divided by total moles
Mole % is mole fraction multiplied by 100
Paul Ashall, 2008

Molar units
Benzene is C6H6. The molecular weight is
(6x12) + (6x1) = 78
So 1 mole of benzene is 78 grams
1 kmol is 78 kg

Paul Ashall, 2008

Exercise batch distillation

1000 kmol of an equimolar mixture of
benzene and toluene is distilled in a
multistage batch distillation unit. 90 % of
the benzene is in the top product (distillate).
The top product has a benzene mole
fraction of 0.95. Calculate the quantities of
top and bottom products and the
composition of the bottom product.
Paul Ashall, 2008

Mass balance - crystalliser

A crystalliser contains 1000 kg of a saturated solution of potassium
chloride at 80 deg cent. It is required to crystallise 100 kg KCl from
this solution. To what temperature must the solution be cooled?

Paul Ashall, 2008

T deg cent

Solubility
gKCl/100 g water

80

51.1

70

48.3

60

45.5

50

42.6

40

40

30

37

20

34

10

31

Paul Ashall,
27.6 2008

At 80 deg cent satd soln contains (51.1/151.1)x100

% KCl i.e. 33.8% by wt
So in 1000 kg there is 338 kg KCl & 662 kg water.
Crystallising 100 kg out of soln leaves a satd soln
containing 238 kg KCl and 662kg water i.e.
238/6.62 g KCl/100g water which is 36 g
KCl/100g. So temperature required is approx 27
deg cent from table.
Paul Ashall, 2008

Mass balance filtration/centrifuge

wash water/solvent
solid

feed suspension

waste water

filtrate
Paul Ashall, 2008

Filtration
5000 kg DM water

F1
Impurity 55 kg
Water 2600 kg
API 450 kg
Water 7300 kg
Impurity 50 kg
API 2kg

Paul Ashall, 2008

Water 300 kg
API 448 kg
Impurity 5 kg

Mass balance - drier

water/evaporated solvent

product

feed

Paul Ashall, 2008

Mass balance extraction/phase

split

A+ B

A+ B

S+B

A feed solvent; B solute; S extracting solvent

Paul Ashall, 2008

Example (single stage extraction;

immiscible solvents)

feed

raffinate
E1

solvent

extract

Paul Ashall, 2008

F = 195 kg; xf = 0.11 kg API/kgwater

S = 596 kg chloroform
y = 1.72x, where y is kgAPI/kg chloroform in extract and x is kg API/kg
water in raffinate.
Total balance 195 + 596 = E + R
API balance 19.5 = 175.5x1 + 596y1
19.5 = 175.5x1 + 596.1.72x1
x1 = 0.0162 and y1 = 0.029
R is 175.5 kg water + 2.84 kg API
and E is 596 kg chloroform + 17.28 kg API
Note: chloroform and water are essentially immiscible

Paul Ashall, 2008

Mass balance absorption unit

exit gas stream
feed solvent

feed gas stream

waste solvent stream
Paul Ashall, 2008

Mass balances multiple units

Overall balance
Unit balances
Component balances

Paul Ashall, 2008

Multiple units
W2

F1

P3

R4
E evaporator; C crystalliser; F filter unit
F1 fresh feed; W2 evaporated water; P3 solid product; R4 recycle of
saturated solution from filterPaul
unit Ashall, 2008

Mass balance procedures

Process description
Flowsheet
Label
Assign algebraic symbols to unknowns
(compositions, concentrations, quantities)
Select basis
Write mass balance equations (overall, total,
component, unit)
Solve equations for unknowns
Paul Ashall, 2008

Exercise
A mass balance and tracking of usage of a solvent
used in an API production process is required for a
Pollution Emission Register (PER).
Discuss and outline in general terms how you would
do this.

Ref. www.epa.ie
Paul Ashall, 2008

Definitions

Stoichiometric quantities
Limiting reactant
Excess reactant
Conversion
Yield
Selectivity
Extent of reaction
Paul Ashall, 2008

Stoichiometry
Refers to quantities of reactants and
products in a balanced chemical reaction.
aA + bB
cC + dD
i.e. a moles of A react with b moles of B to
give c moles of C and d moles of D.
a,b,c,d are stoichiometric quantities

Paul Ashall, 2008

Reactor mass balances

Paul Ashall, 2008

Example aspirin synthesis

reaction

Paul Ashall, 2008

Limiting reactant/excess reactant

In practice a reactant may be used in excess
of the stoichiometric quantity for various
reasons. In this case the other reactant is
limiting i.e. it will limit the yield of
product(s)

Paul Ashall, 2008

continued
A reactant is in excess if it is present in a
quantity greater than its stoichiometric
proportion.
% excess = [(moles supplied stoichiometric
moles)/stoichiometric moles] x 100

Paul Ashall, 2008

Example aspirin synthesis

Paul Ashall, 2008

Conversion
Fractional conversion = amount reactant
consumed/amount reactant supplied
% conversion = fractional conversion x 100

Note: conversion may apply to single pass reactor

conversion or overall process conversion
Paul Ashall, 2008

Yield
Yield = (moles product/moles limiting
reactant supplied) x s.f. x 100
Where s.f. is the stoichiometric factor =
stoichiometric moles reactant required per
mole product

Paul Ashall, 2008

Example aspirin synthesis

Paul Ashall, 2008

Selectivity
Selectivity = (moles product/moles reactant
converted) x s.f. x100
OR
Selectivity = moles desired product/moles
byproduct

Paul Ashall, 2008

Extent
Extent of reaction = (moles of component leaving
reactor moles of component entering
reactor)/stoichiometric coefficient of component

Note: the stoichiometric coefficient of a component

in a chemical reaction is the no. of moles in the
balanced chemical equation ( -ve for reactants and
+ve for products)
Paul Ashall, 2008

Examples
A
B
i.e. stoichiometric coefficients a = 1; b = 1
100 kmol fresh feed A; 90 % single pass
conversion in reactor; unreacted A is
separated and recycled and therefore overall
process conversion is 100%
R
F

reactor

separation

Paul Ashall, 2008

Discussion - Synthesis of 3,3

dimethylindoline

Paul Ashall, 2008

Discussion - Aspirin synthesis

Paul Ashall, 2008

References
Elementary Principles of Chemical
Processes, R. M. Felder and R. W.
Rousseau, 3rd edition, John Wiley, 2000

Paul Ashall, 2008