Introduction

Chemical engineering processes can be broadly divided into two types: batch processes and
continuous processes. In a batch process, input materials are placed in a reactor and product
is withdrawn some time later. A typical batch reactor consists of a tank with an agitator and
integral heating/cooling system. Liquid and solids are usually charged via connections in the
top cover of the reactor. Vapours and gasses also discharge through connections in ten top
and liquid are usually discharged out of the bottom. This is typical of what is normally done
in chemistry laboratories.

This experiment will be studying for batch conditions the reaction between an ester (ethyl
acetate) and sodium hydroxide:

CH3 COOC2H5  OH  CH3COO C2H5OH

This type of reaction is called a saponification because of its importance in the manufacture
of soap. The reaction is relatively slow and the changing ester concentration can be followed
quite easily by analyzing samples from the reaction mixture every few minutes.
Limiting and excess reactant.

NaOH + CH3COOC2H5 CH3COONa + C2H5OH

nNaOH:

g
ρNaOH = 2.13
cm3

g 1m3 1003 cm3

massNaOH = 3L × 2.13
cm3
× ×
1000 L 13 m3

= 6390 g

6390 g
nNaOH = g = 159.76 mol NaOH
39.997mol

nCH3COOC2H5 :

kg
ρCH3COOC2H5 = 897
m3

kg 1 m3 1000 g
massCH3COOC2H5= 3L × 897 3× ×
m 1000 L 1 kg

= 2691 g

2691g
nCH3COOC2H5 = g
88.11mol

= 30.54 mol CH3COOC2H5

159.76 mol NaOH

For NaOH = = 159.76 mol NaOH
1

30.54 mol CH3COOC2H5

For CH3COOC2H5 = = 30.54 mol CH3COOC2H5
1
In this reaction, 30.54 mol CH3COOC2H5 is smaller than 159.76 mol NaOH, therefore, Ethyl
Acetate (CH3COOC2H5) is the limiting reactant and Sodium Hydroxide (NaOH) is the excess
reactant.

Total mole = 159.76 mol + 30.54 mol

= 190.3 mol total

30.54 mol CH3COOC2H5

YCH3COOC2H5 =
190.3 mol total

= 0.16

YNaOH = 1- 0.16

= 0.84

Coefficient of reactants:

We know nCH3COOC2H5, feed = 30.54 mol CH3COOC2H5 and nNaOH, feed = 159.76 mol NaOH

1 mol NaOH consumed

nNaOH, stoichiometry = nCH3COOC2H5, feed ×
1 mol CH3COOC2H5 consumed

1
= 30.54 mol CH3COOC2H5 × = 30.54 mol NaOH
1

(159.76−30.54)mol CH3COOC2H5
% Excess of NaOH = × 100% = 423.12 %
30.54 mol CH3COOC2H5
Mass balance calculation:

NaOH + CH3COOC2H5 CH3COONa + C2H5OH

n1 (NaOH) = 4.23 mol

ntotal = 190.3 mol total
n2 (CH3COONa)

n3 (C2H5OH)
CH3COOC2H5 = 0.16
n4 (CH3COOC2H5)
NaOH = 0.84

Figure 3: Flowchart of the process

Carbon:

4 (0.16 × 190.3) = 2n2 + 2n3 + 4n4 → eq1

Hydrogen:

(0.84 × 190.3) + 8 (0.16 × 190.3) = n1 + 3n2 + 6n3 + 8n4 →eq2

Oxygen:

(0.84 × 190.3) + 2 (0.16 × 190.3) = n1 + 2n2 + n3 + 2n4 →eq3

Sodium:

(0.84 × 190.3) = n1 + n2 →eq4

n1 (NaOH) = 4.23 mol

n2 (CH3COONa) = 155.622 mol

 n3 (C2H5OH) = 155.618 mol

n4 (CH3COOC2H5) = -125.17 mol

Energy balance calculation:

159.76 mol NaOH

30.54 mol CH3COOC2H5

n1 (NaOH) = 4.23 mol

n2 (CH3COONa) = 155.622 mol
n3 (C2H5OH) = 155.618 mol
n4 (CH3COOC2H5) = -125.17 mol
Figure 3: Flowchart of the process

inlet outlet
Substance

nin (mol) Hin (kJ/mol) nin. Hin (kJ) nout (mol) Hout (kJ/mol) nout. Hout (kJ)

Sodium
Hydroxide 159.76 0 0 4.23 2.702417386 11.43122554
(NaOH)

Sodium Acetate
- - - 155.622 4324.415138 672974.1326
(CH3COONa)

Ethanol
- - - 155.618 4.9228 766.0762904
(C2H5OH)

Ethyl Acetate
30.54 0 0 -125.17 – 1.605046 200.9036078
(CH3COOC2H5)

∑= 0 ∑= 673952.5437

Table3: Energy balance table

∆H = ∑nout∆Hout – ∑nin∆Hin

= 673952.5437 – 0

= 673952.5437 kJ

Q = ∆H = 673952.5437 kJ

Appendices

Calculations:

Mass balance

Substitute n1= 4.23 mol into eq4

(0.84 × 190.3) = (4.23) + n2

n2 = 155.622 mol

Substitute n1= 4.23 mol and n2 = 155.62 mol into eq3

(0.84 × 190.3) + 2 (0.16 × 190.3) = (4.23) + 2(155.62) + n3 + 2n4

n3 = -94.722-2n4 →eq5

Substitute n1= 4.23 mol, n2 = 155.62 mol and n3 = -94.722-2n4 into eq2

(0.84 × 190.3) + 8 (0.16 × 190.3) = (4.23) + 3(155.62) + 6(-94.722-2n4) + 8n4

-4n4 = 500.678

n4 = -125.17 mol

Substitute n4 = -125.17 mol into eq5

n3 = -94.722-2(-125.17)
n3 = 155.618 mol

Energy balance

29℃ 60℃

60
∆H1 = ∫29 Cp dT

50
= ∫29 88.34725 × 10-3 ̶ (2.4951 × 10-5)(T) ̶ (3.013028 × 10-8)(T2) + (0.8862607 × 10-12)(T3)
dT

(2.4951 × 10−5 )(T2 ) (3.013028 × 10−8 )(T3 )

[
= 88.34725 × 10-3 (T) ̶
2
̶
3
+

(0.8862607 × 10−12 )(T4 )

4
]
(2.4951 × 10−5 )(602 ) (3.013028 × 10−8 )(603 )
[
= 88.34725 × 10 (60) ̶ -3
2
̶
3
+

(0.8862607 × 10−12 )(604 ) −5 )(292 )

4
] ̶ [88.34725 × 10-3 (29) ̶ (2.4951 × 210 ̶

(3.013028 × 10−8 )(293 ) (0.8862607 × 10−12 )(294 )

3
+
4
]

= 2.702417386 kJ/mol

60
∆H2 = ∫29 Cp dT

50
=∫29 139640 × 10-3 – (320.8 × 10-5)(T) + (0.8985 × 10-8)(T2)dT
 (320.8 × 10−5 )(T2 ) (0.8985 × 10−8 )(T3 )
= [139640 × 10-3 (T) – + ]
2 3

(320.8 × 10−5 )(602 ) (0.8985 × 10−8 )(603 )

= [139640 × 10 (60) –
-3
+ ]–
2 3

(320.8 × 10−5 )(292 ) (0.8985 × 10−8 )(293 )

[139640 × 10-3 (29) – + ]
2 3

= 4324.415138 kJ/mol

50
∆H3 = ∫29 Cp dT

60
=∫29 158.8 × 10-3 dT

= (158.8 × 10-3)(T)

= [(158.8 × 10-3)(60)] – [(158.8 × 10-3)(29)]

= 4.9228 kJ/mol

60
∆H4 = ∫29 Cp dT

60
= ∫29 226.23 × 10-3 – (624.8 × 10-5)(T) + (1.472 × 10-8)(T2) dT

(624.8 × 10−5 )(T2 ) (1.472 × 10−8 )(T3 )

= [226.23 × 10 (T) –
-3
+ ]
2 3

(624.8 × 10−5 )(602 ) (1.472 × 10−8 )(603 )

= [226.23 × 10 (60) –
-3
+ ]–
2 3

(624.8 × 10−5 )(292 ) (1.472 × 10−8 )(293 )

[226.23 × 10-3 (29) – + ]
2 3

= – 1.605046 kJ/mol