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Fundamentals of

Material Balances

Material Balance-Part 1

Process Classifications

3 type of chemical processes:

- Concept of boundary of the process

– Feed is charge to the process and product is

removed when the process is completed

– No mass is fed or removed from the process during

the operation

– Used for small scale production

– Operate in unsteady state

n 3/29/15

n Prof. Shoukat Choudhury

n 2

Process Classifications

2. Continuous process

– Input and output is continuously fed and

remove from the process

– Operate in steady state

– Used for large scale production

3. Semibatch process

– Neither batch nor continuous

– During the process a part of reactant can be

fed or a part of product can be removed.

n 3/29/15

n Prof. Shoukat Choudhury

n 3

2 type of process operations:

– All the variables (i.e. temperatures, pressure,

volume, flow rate, etc) do not change with

time

– Process variable change with time

n 3/29/15

n Prof. Shoukat Choudhury

n 4

Try This…

Define type and operation of processes

given:

• A balloon is being filled with air at steady

rate of 2 g/min

Semibatch and unsteady state

• A bottle of milk is taken from the

refrigerator and left in the kitchen

Batch and unsteady state

• Water is boiled in an open flask

Semibatch and unsteady state

n 3/29/15

n Prof. Shoukat Choudhury

n 5

General Balance Equation:

INPUT + GENERATION – OUTPUT – CONSUMPTION = ACCUMULATION

• Steady state;

accumulation = 0

INPUT + GENERATION = OUTPUT + CONSUMPTION

generation = 0, consumption = 0

INPUT = OUTPUT

n 3/29/15

n Prof. Shoukat Choudhury

n 6

Example
4.2-‐2

One
thousands
kilogram
per
hour
of
a
mixture

of
Benzene
(B)
and
Toluene
(T)
containing
50%

Benzene
by
mass
is
separated
by
a
disEllaEon

into
two
fracEons.
The
mass
ﬂow
rate
of

Benzene
in
the
top
stream
is
450
kg/h
and
that

of
Toluene
in
the
boIom
stream
is
475
kg/h.

The
operaEon
is
at
steady
state.
Calculate
the

unknown
components
ﬂow
rates
in
the
output

streams.

n 3/29/15 n Prof. Shoukat Choudhury n 7

Flowchart

Steps for Material Balance Calculations:

process variables

- Flow Chart drawing and Labeling

2. Choose a Basis

3. Set up material balance equations

4. solve the equations for unknown variables.

n 3/29/15

n Prof. Shoukat Choudhury

n 9

Flowcharts

• When you are given process information and

asked to determine something about the

process, it is essential to organize the

information in a way that is convenient for

subsequent calculations.

• The best way to do this is to draw a flowchart

– using boxes or other symbols to represent process

units (reactors, mixers, separation units, etc.)

– lines with arrows to represent inputs and outputs.

n 3/29/15

n Prof. Shoukat Choudhury

n 10

Flowcharts……

• The flowchart of a process can help get material balance

calculations started and keep them moving.

• Flowchart must be fully labeled when it is first drawn,

with values of known process variables and symbols for

unknown variables being written for each input and

output stream.

• Flowchart will functions as a scoreboard for the problem

solution: as each unknown variable is determined its

value is filled in, so that the flowchart provides a

continuous record of where the solution stands and what

must still be done.

n 3/29/15

n Prof. Shoukat Choudhury

n 11

Step 1.2: Labeling a flowchart

1. Write the values and units of all known stream

variables at the locations of the streams on the

flowchart.

For example, a stream containing 21 mole% O2

and 79% N2 at 320˚C and 1.4 atm flowing at a

rate of 400 mol/h might be labeled as:

400 mol/h

0.79 mol N2/mol

T = 320˚C, P = 1.4 atm

n 3/29/15

n Prof. Shoukat Choudhury

n 12

Labeling a flowchart-continue

Process stream can be given in two ways:

a) As the total amount or flow rate of the stream

and the fractions of each component

b) Or directly as the amount or flow rate of each

component. 10 lbm

4.0 lbm C2H4 0.4 lbm C2H4/lbm

3.0 lbm C2H6 0.3 lbm C2H6/lbm

100 kmol/min

40 kmol O2/min 0.4 kmol O2/kmol

n 3/29/15

n Prof. Shoukat Choudhury

n 13

Labeling a flowchart(continued)

variables

[such as m (kg solution/min), x (lbm N2/lbm),

and n (kmol C3H8)] and

write these variable names and their units

on the flowchart.

n! mol/h 400 mol/h

0.79 mol N2/mol (1-y) mol N2/mol

T = 320˚C, P = 1.4 atm T = 320˚C, P = 1.4 atm

n 3/29/15

n Prof. Shoukat Choudhury

n 14

Labeling a flowchart-continue

label the masses of these streams as m and 2m rather

than m1 and m2.

• If you know that mass fraction of nitrogen is 3 times

than oxygen, label mass fractions as

y g O2/g and 3y g N2/g rather than y1 and y2.

• When labeling component mass fraction or mole fraction,

the last one must be 1 minus the sum of the others.

• If volumetric flow rate of a stream is given, it is generally

useful to label the mass or molar flow rate of this stream

or to calculate it directly, since balance are not written

on volumetric qualities.

n 3/29/15

n Prof. Shoukat Choudhury

n 15

Consistent on Notation

m = mass

! = mass flow rate

m

n = moles

! = molar flow rate

n

V = volume

! = volume flow rate

V

x = component fraction (mass or moles) in liquid

y = moles fraction in gas

n 3/29/15

n Prof. Shoukat Choudhury

n 16

Example
4.2-‐3

Two
methanol
water
mixtures
are
contained
in

separate
ﬂasks.
The
ﬁrst
mixture
contains
40

wt%
methanol,
and
the
second
contains
70%

methanol.
If
200
g
of
the
ﬁrst
mixture
is

combined
150
g
of
the
second,
what
are
the

mass
and
composiEon
of
the
product?

Try This..

n Example 4.2.3

in separate flasks. The first mixture contains

40wt% methanol and the second flask

contains 70wt% methanol. If 20 Kg of the

first mixture are going to be mixed with

15000 g of the second in a mixing unit,

what are the mass and composition of the

product of the mixing unit?

n 3/29/15

n Prof. Shoukat Choudhury

n 18

Try This..

n Example 4.3.1

An experiment on the growth rate of certain organism

requires an environment of humid air enriched in oxygen.

Three input streams are fed into an evaporation chamber

to produce an output stream with the desired composition.

A: Liquid water fed at rate of 20 cm3/min

B: Air (21% O2 and 79% N2)

C: Pure O2 with a molar flow rate one-fifth of the molar

flow rate of stream B

The output gas is analyzed and is found to contain 1.5

mole% water. Draw and label the flowchart of the process,

and calculate all unknown stream variables.

n 3/29/15

n Prof. Shoukat Choudhury

n 19

Solution

0.200n!1 mol O2/min

n! 3 mol/min

y mol O2 /mol

0.21 mol O2 /mol (0.985-y) mol N2/mol

0.79 mol N2 /mol

n! 2 mol H2O/min

Ø Water balance

Ø Total mol

Ø Nitrogen / oxygen balance

n 3/29/15

n Prof. Shoukat Choudhury

n 20

Flowchart Scaling & Basis of Calculation

the values of all stream amounts or flow

rates by a proportional amount while leaving

the stream compositions unchanged. The

process would still be balance.

larger than the original quantities.

smaller than the original quantities.

n 3/29/15

n Prof. Shoukat Choudhury

n 21

Flowchart Scaling & Basis of Calculation

1 kg C6H6

2 kg

0.5 kg C6H6/kg

1 kg C7H8

0.5 kg C7H8/kg

x 300

300 kg C6H6

600 kg

0.5 kg C6H6/kg

300 kg C7H8 0.5 kg C7H8/kg

kg kg/h

Replace kg with lbm

300 lbm/h

600 lbm/h

0.5 lbm C6H6/lbm

300 lbm/h 0.5 lbm C7H8/lbm

n 3/29/15

n Prof. Shoukat Choudhury

n 22

Flowchart Scaling & Basis of Calculation

or flow rate of one of the process streams is n1.You can

scale the flow chart to make the amount or flow rate of

this stream n2 by multiplying all stream amounts or flow

rate by the ratio n2/n1.

molar quantities or vice versa by simple multiplication;

conversions of this type must be carried out using the

methods as discussed in mass fraction and mol fraction

section.

n 3/29/15

n Prof. Shoukat Choudhury

n 23

Basis of Calculation

flow rate (mass or molar) of one stream or stream

component in a process. All unknown variables are

determined to be consistent with the basis.

• If a stream amount or flow rate is given in problem,

choose this quantity as a basis

• If no stream amount or flow rate are known, assume

one stream with known composition. If mass fraction is

known, choose total mass or mass flow rate as basis. If

mole fraction is known, choose a total moles or molar

flow rate as basis.

n 3/29/15

n Prof. Shoukat Choudhury

n 24

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Flowchart

n 3/29/15 n Prof. Shoukat Choudhury n 39

Product Separation

Reactor Separation

Unit

n 3/29/15

n Prof. Shoukat Choudhury

n 40

K-salt Recovery

• In a steady state process crystalline potassium

chromate (K2CrO4) is recovered from an aqueous

solution of this salt.

• 10 ton per hour of a solution that is 30% K2CrO4 by

mass is fed into an evaporator. The concentrated

stream leaving the evaporator contains 50% K2CrO4 ;

this stream is fed into a crystallizer in which it is

cooled (causing crystals of K2CrO4 to come out of

solution) and then filtered. The filter cake consists of

K2CrO4 crystals and a solution that contain 35% K2CrO4

by mass; the crystals account for 95% of the total

mass of the filter cake. The filtrate drains out of the

system also contains 35% K2CrO4.

n 3/29/15

n Prof. Shoukat Choudhury

n 41

10 ton per hour of a solution that is 30% K2CrO4 by mass is fed into an

evaporator. The concentrated stream leaving the evaporator contains 50%

K2CrO4 ; this stream is fed into a crystallizer in which it is cooled (causing

crystals of K2CrO4 to come out of solution) and then filtered. The filter cake

consists of K2CrO4 crystals and a solution that contain 35% K2CrO4 by mass; the

crystals account for 95% of the total mass of the filter cake. The filtrate drains

out of the system also contains 35% K2CrO4.

.

m1 kg W/h

Filter Cake

Fresh Feed . .

10,000 kg/h m2 kg/h

Crystallizer m3 kg/h

.

Evaporator & Filter m4 kg/h

0.30 kg K/kg 0.50 kg K/kg

0.70 kg W/kg 0.50 kg W/kg 0.35 kg K/kg

0.65 kg W/kg

Filtrate

. 0.35 kg K/kg

m 5 kg/h 0.65 kg W/kg

n 3/29/15

n Prof. Shoukat Choudhury

n 42

m1 = 4000 kg W/h

m2 = 6000 kg K-soln/h

m3 = 1385 kg K(S)/h

m4 = 73 kg K-soln/h

m5 = 4542 kg K-soln/h

• Filtrate soln, m5 = 4542 Kg/h

• If filtrate is discarded, a huge loss in raw

material and money

• Therefore, recycle is the solution

n 3/29/15

n Prof. Shoukat Choudhury

n 43

K-salt Recovery

• In a steady state process crystalline potassium chromate (K2CrO4) is

recovered from an aqueous solution of this salt.

• 10 ton per hour of a solution that is 30% K2CrO4 by mass is joined

by a recycle stream containing 35% K2CrO4, and combined stream

is fed into an evaporator.

• The concentrated stream leaving the evaporator contains 50%

K2CrO4; this stream is fed into a crystallizer in which it is cooled

(causing crystals of K2CrO4 to come out of solution) and then

filtered.

• The filter cake consists of K2CrO4crystals and a solution that contain

35% K2CrO4 by mass; the crystals account for 95% of the total mass

of the filter cake. The solution that passes through the filter also

35% K2CrO4, is the recycle stream.

• Calculate the rate of evaporation, the rate of production of

crystalline K2CrO4, the feed rates that the evaporator and the

crystallizer must be designed to handle and the recycle ratio

n 3/29/15

n Prof. Shoukat Choudhury

n 44

Product Separation & Recycling

.

m 2 kg W/h

Filter Cake

Fresh Feed . . .

m1 kg/h

10,000 kg/h m3 kg/h Crystallizer m4 kg/h

0.30 kg K/kg

Evaporator & Filter .

MP 0.50 kg K/kg

0.70 kg W/kg 0.50 kg W/kg m 5 kg/h

0.35 kg K/kg

0.65 kg W/kg

Recycle

.

m 6 kg/h

0.35 kg K/kg

0.65 kg W/kg

n 3/29/15

n Prof. Shoukat Choudhury

n 45

Product Separation

& Recycling

n Without Recycle

m1 = 19662 kg mixed feed /h

m2 = 6900 kg Water evaporated/h m2 = 4000 kg W/h

m3 = 12762 kg fed to crystallizer/h m3 = 6000 kg K-soln/h

m4 = 2945 kg crystals/h m4 = 1385 kg K(S)/h

m5 = 155 kg K-soln/h m5 = 73 kg K-soln/h

m6 = 9662 kg recycle/h m6 = 4542 kg K-soln/h

Recycle Ratio= 0.9662 Kg recycle/Kg

Fresh feed

Comment:

Crystal production increases 113% due

to recycling

n 3/29/15

n Prof. Shoukat Choudhury

n 46

Recycle and Bypass

n What is wrong here?

• Reuse of reactants/feed

• Recovery of catalyst

• Dilution of process streams (improve filter

operation)

• Control of a process variable (Reduce

reactant concentration)

• Circulation of a working fluid

(Refrigeration)

n 3/29/15

n Prof. Shoukat Choudhury

n 47

Product Separation and Recycle

• Normally, reactions are not complete

– Separation and recycle

– Improved yield, conversion ,…

Reactants Product Products

Reactor Separation

Unit

Recycle

ü Process feed

ü Net product

n 3/29/15

n Prof. Shoukat Choudhury

n 48

Balances on Reactive Systems

• Stoichiometry

The theory of proportions in which chemical

species combine with one another.

– Example: 2 SO2 + O2 à 2 SO3

• Stoichiometric Ratio

• Ratio of stoichiometric coefficients

– Example

2 mol SO3 produced 2 mol SO2 reacted

1 mol O2 reacted 2 mol SO3 produced

n 3/29/15

n Prof. Shoukat Choudhury

n 49

Terminology

• Limiting reactants

Exist less than stoichiometric proportion

• Excess reactants

Exist more than stoichiometric proportion

• Example

2SO2 + O2 à 2 SO3

(30 mol) (10 mol)

Excess Limiting

n 3/29/15

n Prof. Shoukat Choudhury

n 50

Terminology

n − ns

• Fractional excess n

s

• Percent excess n − ns

× 100

• Example ns

– H2 + Br2 à HBr

– H2 : 25 mol /hr

– Br2 : 20 mol /hr

– Fractional Excess H2 = (25 – 20 ) /20 = 0.25

– Percent Excess = 25 %

n 3/29/15

n Prof. Shoukat Choudhury

n 51

Terminology

• Fractional conversion

– Chemical reactions are not always completed.

– Factional conversion

• f = (moles reacted) / (moles fed)

– When fresh feed consists of more than one

material the conversion must be stated for a

single component, usually the limiting

reactant.

n 3/29/15

n Prof. Shoukat Choudhury

n 52

Terminology

reactant input to process - reactant output from process

Overall Conversions =

reactant input to process

reactant input to reactor - reactant output from reactor

Single-Pass Conversions =

reactant input to reactor

achieved in two ways:

– Design the reactor to yield a high single-

pass conversion, or

– Design the reactor to yield a low single-

pass conversion and follow it with a

separation unit to recover and recycle

unconsumed reactant.

n 3/29/15

n Prof. Shoukat Choudhury

n 53

Problem

• Consider the reaction

6 NaClO3 + 6 H2SO4 + CH3OH → 6 ClO2 + 6 NaHSO4 + CO2

(mol%) of 36% NaClO3, 54% H2SO4, and

the rest CH3OH, which is the limiting

reactant?

• Calculate the reactant flows required to

n produce 10 ton Pper

3/29/15

hour

rof. Shoukat

n of

Choudhury

ClO2 assuming54

n

Balances of Atomic and

Molecular Species

• Methods for solving mass balances with reactions

– Using balances on molecular species

– Using balances of atoms

– Using the extent of reaction

• For multiple reactions, sometimes it is more convenient to use

atomic balances

• Atomic species balances generally lead to the most straightforward

solution procedure, especially when more than one reaction is

involved.

• Extents of reaction are convenient for chemical equilibrium problems

and when equation solving software is to be used.

• Molecular species balances require more complex calculations than

either of the other two approaches and should be used only for

simple systems involving one reaction.

n 3/29/15

n Prof. Shoukat Choudhury

n 55

A simple Problem

The oxidation of ethylene to produce

ethylene oxide proceeds as: 2 C2H4 + O2

= 2 C2H4O

The feed to the reactor contains 100 Kmol

C2H4 and 200 Kmol O2. What is the

limiting reactant? What is the percentage

excess of the other reactant? If the

reaction proceeds to a point where the

fractional conversion of the limiting

n reactant is 50%,Prof.how

3/29/15

n much

Shoukat Choudhury

of each 56

n

Multiple Reaction, Yield,

Selectivity

• Multiple reaction : one or more reaction

– Side Reaction : undesired reaction

– Example: Production of ethylene

C2H6 à C2H4 + H2

Side Reactions

C2H6 + H2 à 2CH4

C2H4 + C2H6 à C3H6 + CH4

– Design Objective

• Maximize desired products (C2H4)

• Minimize undesired products (CH4, C3H6)

n 3/29/15

n Prof. Shoukat Choudhury

n 57

Terminology

moles of desired product formed

YIELD =

moles that would have been formed if there

were no side reactions and the limiting reactant

had reacted completely

moles of desired product formed

n Yield =

moles of reactant fed

moles of desired product formed

n Yield =

moles of reactant consumed

SELECTIVITY =

moles of undesired product formed

– Yield and Selectivity are used to describe the degree to

which a desired reaction predominates over competing side

reactions.

n 3/29/15

n Prof. Shoukat Choudhury

n 58

Determination of yield and

Reaction: selectivity

C2H6 + 2.5O2 → 2CO +

3H2O

C2H6 + 3.5O2 → 2CO2

+3H2O

Undesired product: CO

100 mol C H

80% reactor

REACTOR conversion

Products

n

2 6

n 20 mol C2H6

500 mol O2

n 120 mol CO2

n 40 mol CO Yield = 0.6 or 1.2 or 1.5

n 240 mol O2

n 240 mol H2O Selectivity = 3.0

n 3/29/15

n Prof. Shoukat Choudhury

n 59

Problem

Ethane is burned with air in a continuous

steady-state combustion reactor to yield a

mixture of carbon monoxide, carbon

dioxide, and water. The feed to the reactor

contains 10% C2H6. The percentage

conversion of ethane is 80%, and gas

leaving the reactor contains 8 mol CO2 per

mol of CO. Determine molar composition

n Reaction:

of productn Cgas.

2H6 + 5/2 O2 → 2CO + 3H2O

n C2H6 + 7/2 O2 → 2CO2 +3H2O

n 3/29/15

n Prof. Shoukat Choudhury

n 60

Concept of Purge-

• Production of Ethylene Oxide

why needed?

• Reaction: 2C2H4 + O2 → 2C2H4O

• Mixture of Ethylene and air stream is charged to the reactor

• Reactor effluent is charged to absorber and gas stream

containing N2, O2 and unreacted ethylene is charged back to

reactor

Recycle

Reactor Absorber

Products

n 3/29/15

n Prof. Shoukat Choudhury

n 61

Production of Ethylene Oxide

• Problem: accumulation of N2

• Solution: allow purging of inert species

Recycle Purge stream

50 mol C2H4/s 10 mol C2H4/s

25 mol O2/s 5 mol O2/s

565 mol N2/s 113 mol N2/s

60 mol C2H4/s

Reactor 50 mol C2H4/s Absorber

100 mol C2H4/s

30 mol O2/s 50 mol C2H4O/s

50 mol O2/s

25 mol O2/s

113 mol N2/s 565 mol N2/s Products

565 mol N2/s

50 mol C2H4O/s

solvent

n 3/29/15

n Prof. Shoukat Choudhury

n 62

Purging

Reactor Separation

Unit

Recycle

Purging

n 3/29/15

n Prof. Shoukat Choudhury

n 63

Definition

• A Recycle Stream is a term denoting a

process stream that returns material from

downstream of a process unit back to the

process unit.

• A Bypass stream - one that skips one or

more stages of the process and goes

directly to another downstream stage.

• A Purge stream – a stream bled off to

remove an accumulation of inert or

unwanted material that might otherwise

n build up in the recycle

3/29/15

n stream.

Prof. Shoukat Choudhury

64

n

Example 4.7-3, page 139

Recycle and Purge in the Synthesis of Methanol

Methanol is produced in the reaction of carbon dioxide and

hydrogen: CO2 + 3H2 → CH3OH + H2O

The fresh feed to the process contains hydrogen, carbon

dioxide and 0.40 mole percent inerts(I). The reactor effluent

passes to a condenser that removes essentially all of the

methanol and water formed and none of the reactants or

inerts. The latter substances are recycled to the reactor. To

avoid buildup of the inerts in the system, a purge stream is

withdrawn from recycle. The feed to the reactor contains

28.0 mole% CO2, 70 mole% H2 and 2% inerts. The single

pass conversion of H2 is 60%. Calculate the molar flow rates

and molar compositions of the fresh feed, the total feed to

the reactor, the recycle stream, and the purge stream for a

methanol production rate of 155 kmol methnol/hr.

n 3/29/15

n Prof. Shoukat Choudhury

n 65

Reaction: CO2 + 3H2 → CH3OH + H2O

Basis: 155 kmol CH3OH/h

Recycle Purge

N8 kmol/h N7 kmol/h

x6C mol CO2/mol x6C mol CO2/mol

x6H mol H2/mol x6H mol H2/mol

(1-x6C-x6H) mol I/mol (1-x6C-x6H) mol I/mol

N6 kmol/h

x6C mol CO2/mol

x6H mol H2/mol

(1-x6C-x6H)mol I/mol

n1 kmol/h n2 kmol/h

REACTOR CONDENSER

x1C mol CO2/mol 0.28 mol CO2/mol n3 kmol CO2/mol

(0.996-x1C)mol H2/mol 0.70 mol H2/mol n4 kmol H2/mol

0.004 mol I/mol 0.02 mol I/mol n5 kmol I/mol

155 kmol CH3OH/h

155 kmol H2O/h 155 kmol CH3OH/h

155 kmol H2O/h

n 3/29/15

n Prof. Shoukat Choudhury

n 66

Combustion Reaction

• Combustion

– A rapid reaction of a fuel with oxygen

– Fuels : coal, fuel oil, gas fuel, solid fuel, …

– Complete combustion / incomplete

combustion

– Wet basis composition / dry basis composition

Remember:

Orsat analysis yields dry basis composition

n 3/29/15

n Prof. Shoukat Choudhury

n 67

Terminology

• Theoretical oxygen : Amount of oxygen

needed for complete combustion

– all carbon in the fuel is oxidized to CO2 and

– all the hydrogen is oxidized to H2O

• Theoretical air : The quantity of air that

contains theoretical oxygen

Air(theo) = 4.76 x O2(theo)

• Excess air : The amount by which the

air fed to reactor exceeds the

(moles air)fed − (moles air)theroretical

theoretical air (moles air )theoretical ×100%

3/29/15

n Shoukat Choudhury

n 68

Composition of Flue or stack gas

• Wet Basis = => Dry Basis

- Basis: 1 mole wet gas

- basic idea, subtract the water and express the rest in %

• Dry Basis = => Wet Basis

- Basis: 1 mole wet gas

- need one extra information: How much water is there in

one mole of wet gas? (Say, y mole fraction out of 1 mole

wet gas)

- subtract water from one mole of wet gas and get the

mole of dry gas. (dry gas=1-y)

- Now, dry gas fraction is (1-y)*yi, where yi is mole

fraction of ith dry gas components

n 3/29/15

n Prof. Shoukat Choudhury

n 69

A problem with purge and

•

recycle

The fresh feed to an ammonia production process contains

nitrogen and hydrogen in stoichiometric proportion, along with

2 mole% inert gas. The feed is combined with a recycle stream

containing the same three species and the combined stream is

fed to a reactor in which a single pass conversion of 20% is

achieved. The reactor effluent flows to a condenser. A liquid

stream containing essentially all of the ammonia formed in the

reactor and a gas stream containing all the inerts and the

unreacted nitrogen and hydrogen leave the condenser. 10% of

the gas stream leaving the condenser is removed as purge and

the rest constitutes the recycle stream.

a) Draw a complete flow chart of the process.

b) Completely label the flow-chart

c) Find the overall conversion of N2

d) Find the total feed flow rates to the reactor

n 3/29/15

n Prof. Shoukat Choudhury

n 70

Questions

n 3/29/15

n Prof. Shoukat Choudhury

n 71

Chemical Reaction

• What is final composition ?

ˆνi

– Chemical equilibrium

K = ∏ f i thermodynamics

K = ∏ aνi i

d ln K ΔH r

=

dT RT

r = ktake to reach

(T ) f (compositio

i n) equilibrium ?

– Chemical kinetics

=k T eo

m − E / RT

C AnCbl ...

n 3/29/15

n Prof. Shoukat Choudhury

n 72

Sources of equations of unknown process

variables:

1. Material balances

2. An energy balance

3. Process specifications

4. Physical properties and laws

5. Physical constraints

6. Stoichiometric relations

n 3/29/15

n Prof. Shoukat Choudhury

n 73

Variables in process design or analysis

– Temperature

– Pressure

– Flow rate

– Chemical composition

– Physical properties

– Specific gravity – Mass fraction

– Specific volume – Mole fraction

– Mass and molar

– Density

composition

– Specific heat – Concentration: mass

– Enthalpy conc., molar conc.,

– Heat of reaction,n Petc. molality

n 3/29/15

rof. Shoukat Choudhury

n 74

Topic Outcomes

• Make your conception clear about the following terms:

– Batch, semibatch, continuous, transient, and steady-state

processes

– Recycle, bypass and purge

– Degrees-of-Freedom

– Fractional conversion of a limiting reactant

– Percentage excess of a reactant

– Yield and selectivity

– Dry-basis composition of a mixture containing water

– Theoretical air and percent excess air in a combustion reaction

n 3/29/15

n Prof. Shoukat Choudhury

n 75

Topic Outcomes

• Given a process description:

– Draw and fully label a flowchart

– Choose a convenient basis of calculation

– For a multiple-unit process, identify the

subsystems for which balances might be

written

– Perform DoF analysis for the overall system

and each possible subsystems

– Write in order the equations you would use

to calculate specified process variables

n 3/29/15

– Perform the calculations

Prof. Shoukat Choudhury

n 76

n

Topic Outcomes

• Do these computations

– for single-unit and multiple-unit processes and

– for processes involving recycle, bypass, or

purge streams

• If the system involves reactions, you

should be able to use

– molecular species balances,

– atomic species balances, or

– extents of reaction for both the DoF analysis

3/29/15

and the processProf.

n n calculations

Shoukat Choudhury

n 77

Topic Outcomes

• Given a combustion reactor and

information about the fuel composition

– calculate the feed rate of air from a given

percent excess or vice versa

• Given additional information about the

conversion of the fuel and the absence or

presence of CO in the product gas

– calculate the flow rate and composition of the

product gas

n 3/29/15

n Prof. Shoukat Choudhury

n 78

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