CHAPTER 2

MASS BALANCE, ENERGY BALANCE AND PROCESS SIMULATION

2.1 Mass Balance

2.1.1 Introduction

Law of Conservation of Mass states that mass can neither be created or

destroyed. To calculate mass or material balance this law must be followed. For
steady state process, total mass at input equal to the total mass at output stream.
The design of new process an existing plant is considered successful if when it is
established steady state condition whereby the inputs and the output of the each
unit and entire process satisfy balance equation.

In acetone production,the proposed plant use continuous process that

means the inputs and outputs flow continuously throughout the process. General
balance equation for a system is written in the following way:

Input + generation - output consumption = accumulation (1)

Since the operation is continuous system at all the time, thus the system is
atsteady state condition. Hence, the accumulation is zero. Itcan be represent by
equation 2.

Input + generation = output + consumption (2)

2.1.2 Basis of calculation

The proposed acetone plant is expected to produce approximately 100 000 tonnes
of acetone annually. The kinetics and thermodynamic reaction involve in the
process:

Catalytic dehydrogenation of isopropanol:

nickel
C3H8O C3H6O + H2 = 71.4 kJ/mol

2-1
Basis assumption for material balance:

- Plant operating hours:

1 year = 365 day
Operating day = 338 days (another 27 days as annual shut down for plant
maintenance)
338 24
Operational hours = 1
= 8 112 hours

- Plant annual production is 100 000 tonnes of acetone

- Catalsyt used in reactor not involved in mass balance calculation
- All calculation based on ideal condition
- No leakage in pipe and vessel
- Purity of acetone 98%
Total production of acetone is required to achieve 100 000 tonnes acetone annually

100 000 1 1 1000

= 338 24 1

= 12 327.42 kg/hour acetone

= 212.25 kmol/hour acetone

Estimation was made in order to achieve total production of 100 000 tonnes
of acetone annually. With conversion of x = 0.95 [1], initial feed rate of isopropanol
can be calculated through the following calculation;

Table 2.1: Stoichiometric Table for IPA Reaction

Species Feed rate to Change within Effluent from reactor

reactor reactor (kmol/hr) (kmol/hr)
(kmol/hr)
IPA (A) FA0 -FA0X FA = FA0 FA0X
H2O (B) FB0 -FB0X FB = FB0 FA0X
Acetone (C) FC0 FC0X FC = FC0 +FA0X
H2 (D) FC0 FD0X FD = FD0 + FA0X

2-2
FC = FC0 + FA0X (3)

whereby FC = 212.25 kmol/hour ( molar flow rate of acetone required to produce

100 000 tonnes annually)

C = FC0 / FA0 = 0 (Since there is no acetone feed into reactor)

(4)

FC = FA0 + FA0X (5)

FC = FA0 ( + X )

FA0 = Fc / X

212.25

FA0 = 0.95

FA0 = 223.42 kmol/hour (molar flow rate of feed IPA into reactor)

2.1.3 Mass Balance on Each Unit

a) 2.1.3.1 E-101 (Heater)

Heater (E-101) operated at 1 atm and 300 C to convert liquid phase of feed IPA-
water mixture into vapor phase before this mixture entering reactor (R-101). Since
operating temperature is at 300 C which is above IPA and water boiling point, thus
both component IPA and water 100% convert to vapor phase.

Stream 3 Stream 4
E-101
1 IPA
IPA=223.42 kmol/hr
(1 atm, 300C) 2 H2O
H2O = 82.63 kmol/hr

Figure 2.1 : Mass balance on heater (E -101)

2-3
 Table 2.2: Stream Table for Heater (E-101)

stream 3 4
(liquid phase) (vapour phase)
species kmol/hr kg/hr kmol/hr kg/hr
IPA 223.42 13 427.54 223.42 13 427.54
H2O 82.63 1 487.34 82.63 1 487.34
Total 306.05 14 914.88 306.05 14 914.88

Mass in = mass out

14 914.88 kg/hr = 14.914.88 kg/hr [mass is balance]

b) 2.1.3.2 R-101 (Reactor)

R-101 operated at 1 atm and 350 to convert IPA with constituent of 90 wt% IPA and
10 wt% water into main product which is acetone, and by product which is
hydrogen. Product leaving reactor not only contain main and by product but also
contain residue of IPA and water that not being converted.

Stream 4 Stream 5
R-101
3out
1 in
(1 atm, 350 C) 4
IPA = 223.42 kmol/hr
IPA = 212.25 kmol/hr

H2O = 2 kmol/hr C3H6O

5 kmol/hr H2O

6kmol/hr H2

Figure 2.2: Mass balance on reactor (R-101)

2-4
Degree of freedom:

6 unknowns
- 3 atomic species balances
- 1 independent reactive species (H2O)
- 2 equation relates to unknown (equation 6 and 7)

a) IPA feed = 223.42 kmol/hr

90 wt% of IPA enter reactor = 0.73 mol% of IPA

10 wt% of water enter reactor = 0.27 mol% of water

IPA feed = 0.73 (1) = 223.42 kmol/hr (6)

1 = 306.05 kmol/hr

As 1 already known, thus molar flow rate water being feed into reactor also can
being identified.

Total feed molar flow rate = IPA feed flow rate + water feed flow rate

1 = 223.42 kmol/hr + 2 (7)

306.05 kmol/hr = 223.42 kmol/hr + 2

2 = 82.63 kmol/hr of feed water

As water not involved in the chemical reaction thus constituent of water entering and
leaving the reactoris the same giving the follow value for water leaving reactor.

2 = 5

5 = 82.63 kmol/hr of water leaving reactor

2-5
b) 4 = required acetone production annually

= 212.25 kmol/hr

c) Atomic species balances

i) C balances

(223.42 kmol C3H8O)/(hr ) (3 kmol C)/(1 kmol C3H8O)

= [(n3 kmol C3H8O)/hr (3 kmol C)/(1 kmol C3H8O)] + [(4 kmol C3H6))/hr
(3 kmol C)/(1 kmol C3H6O)]

670.26 kmol/hr = 33 + 34
670.26 kmol/hr = 33 + 3(212.25)
3 = 11.17 kmol/hr IPA

ii) H balance

[(223.42 kmol C3H8O)/(hr ) (8 kmol H)/(1 kmol C3H8O)] + [(82.63 kmol H2O)/hr
(2kmol H)/(1 kmol H2O)] = [(n3 kmol C3H8O)/hr (8 kmol H)/(1 kmol C3H8O)] +
[(4 kmol C3H6))/hr (6 kmol H)/(1 kmol C3H6O)] + [(5 kmol H2O)/hr (2 kmol H)/
(1 kmol H2O)] + [(6 kmol H2)/hr (2 kmol H)/(1 kmol H2)]

1952.62 kmol/hr = 83 + 64 + 25 + 26
1952.62 kmol/hr = 8(11.17) + 6(212.25)+ 2(82.63) + 26
6 = 212.25kmol/hr hydrogen

2-6
iii) O balance

[(223.42 kmol C3H8O)/(hr ) (1 kmol O)/(1 kmol C3H8O)] + [(82.63 kmol H2O)/hr
(1 kmol O)/(1 kmol H2O)]
= [(n3 kmol C3H8O)/hr (1 kmol O)/(1 kmol C3H8O)]
+ [(4 kmol C3H6O))/hr (1 kmol O)/(1 kmol C3H6O)]
+ [(5 kmol H2O)/hr (1 kmol O)/(1 kmol H2O)]

306.05 kmol/hr = 3 + 4 + 5
306.05 kmol/hr = 11.17+ 212.25+ 5

5 = 82.63 kmol/hr water

Table 2.3 :Stream Table for Reactor (R-101)

stream 4 5
species (300C, 1 atm) (350C, 1 atm)
kmol/hr kg/hr kmol/hr kg/hr
IPA 223.42 13 752.68 11.17 671.32
Water 82.63 1 523.52 82.63 1 487.34
Acetone - - 212.25 12 331.725
Hydrogen - - 212.25 424.50
Total 306.05 14 914.88 518.30 14 914.88

Mass in = mass out

14 914.88 kg/hr = 14 914.88 kg/hr [mass is balance]

actual yield IPA consumed

% Yield = theoritical yield 100% Conversion =
100%
12 331.73 13 752.68671.32
= 12 976.23 100% = x 100%
13 752.68

= 95% = 95%

2-7
c) 2.1.3.3 C-101 (Compressor)

Stream 4 Stream 5

465C)

(3 atm,

-101
1 IPA
IPA = 228.83
2 H2O

C
kmol/hr

H2O = 84.64

kmol/hr
Figure 2.3: Mass balance on vapor compressor (C-101)

Table 2.4: Stream Table for Vapor Compressor (C-101)

stream 5 FHin
species (350C, 1 atm) (465C, 3 atm)
kmol/hr kg/hr kmol/hr kg/hr
IPA 11.17 671.32 11.17 671.32
Water 82.63 1 487.34 82.63 1 487.34
Acetone 212.25 12 331.725 212.25 12 331.725
Hydrogen 212.25 424.50 212.25 424.50
Total 518.30 14 914.88 518.30 14 914.88

Mass in = mass out

14 914.88 kg/hr = 14 914.88 kg/hr [mass is balance]

2-8
 d) 2.1.3.4 T-101 (Flash Distillation )

The exit gas from R-101 is at 350 C and contains 0.045 wt%, 0.0997wt%, 0.8268
wt%, 0.0285 wt% of IPA, H2O, acetone H2 respectively. The gas is cooled to 78C
(partly condensed) and is then separated in a flash drum into a vapor stream V that
consist of hydrogen gas and acetone and a liquid product L containing most of the
acetone and water. This flash unit is operated at 5 atm and 20C, where mixture
will be in state of equilibrium.

Stream 7

y1 IPA
Stream FHout
y2 C3H6O
F
y3 H2O

Z1=IPA = 11.17 kmol/hr 20C y4 H2

5 atm
Z2= H2O = 82.63 kmol/hr
Stream FCin

Z3 = C3H6O = 212.25 kmol/hr L

Z4 = H2 = 212.25 kmol/hr
x5 IPA

x6 C3H6O

x7 H2O

x8 H2

Figure 2.4: Mass balance for flash distillation (T-101)

2-9
 Assumptions:

1. The operating temperature and pressure of the flash separator are 20C and
5 atm respectively.
2. The process operates at steady state conditions and no reaction is occurs in
the unit.
3. The mixture is proceeds in equilibrium state where some of the liquid is
partially vaporize.
4. The efficiency of the separator is 99.9% where all the vapor or gas state will
be removes to the gas stream and the liquid will flow into the liquid stream.

Degree of freedom:

8 unknowns
- 4 component balances
- 4 equation relates to unknown

The vapor-liquid mixture of IPA, acetone, hydrogen and water entering T-101 used
Raoults Law fundamental to solve the vapour and liquid outlet composition from
the flash. Raoults Law principle can be illustrated through the equation below

pA = yAP = xAPA* (T)

(4)

where
pA = partial pressure of component A

P = total pressure

yA = vapor mole fraction of component A

xA = liquid mole fraction of component A

PA* (T) = vapor pressure of component A at temperature

2-10
Considering the mixture is ideal liquid mixture and ideal gas, Raoults Law from
Equation 4 states that any component A, the partial pressure, pA equals to the vapor
pressure of the pure component, PA* multiplied by its mole fraction xA in the liquid
phase. To calculate the outlet vapor composition, vapor partial pressure of each
component exist in the mixture, partial pressure of each component and total vapour
and liquid fraction leaving flash is required and these value could be obtained from
Aspen Plus Software using analysis mixture. Partial pressure of each component in
the mixture (at 20C and 5 atm) and value of total vapor and liquid fraction are
presented in Table 2.5. As T-101 functions to separate hydrogen gas from other
mixtures, 20C and 5 atm is the optimun operating condition to conduct the flash
distillation unit as at this condition it will yield the highest purity of hydrogen gas
which is 96%.

i) Calculation vapor mole fraction for each species

Apply Daltons Law in determining the vapor composition:

pA = yAP

yA = pA / P

Table 2.5: Vapour Mole Fraction, yA

Species Calculation Mole fraction, yA

IPA 0.00269374 0.000538748
yIPA = 5
= 0.000538748

Acetone 0.1981344 0.00244818

yacetone = 5
= 0.00244818

Water 0.0122409 0.03962688

ywater= 5
= 0.03962688

Hydrogen gas 4.786931 0.9573862

yhydrogen= 5
= 0.9573862

2-11
 Table 2.6: Partial Pressure and Total Liquid/Vapour Fraction at 20C and 5 atm

Temperature Partial pressure of mixture Total liquid Toal vapor

C IPA C3H6O H2O H2 fraction, X fraction, Y

10 0.00139398 0.1237003 0.00523937 4.869666 0.5800195 0.4199805

20 0.00269374 0.1981344 0.0122409 4.786931 0.5727363 0.4272637
30 0.00495758 0.3014715 0.0257226 4.667848 0.5618037 0.4381963
40 0.00874182 0.4398778 0.048985 4.502395 0.5456599 0.4543401
50 0.0148205 0.619892 0.0854103 4.279877 0.5219864 0.780136

2-12
ii) Calculation of vapor and liquid flow rate

Value of X and Y in the equation below represent total vapor and liquid fraction
leaving
T-101 top and bottom outlet streams are obtained from Table 2.6.

Y = 0.4272637 L = 0.5727363

V = Y(F) L = X(F)
V = 0.4272637 (518.30 kmol/hr) L = 0.5727363 (518.30 kmol/hr)
V = 221.45 kmol/hr L = 296.85 kmol/hr

iii) Component mass balance

IPA balances
Z1(F) = y1(V) + x1(L)
11.17 = 0.000538748 (221.45) + (x1)(296.85)
x1 = 0.0372

Acetone balances
Z2(F) = y2(V) + x2(L)
212.25 = 0.03962688(221.45) + (x2)(296.85)
x2 = 0.6854

Water balances
Z3(F) = y3(V) + x3(L)
82.63 = 000244818(221.25) + (x3)(296.85)
x3 = 0.2765

Hydrogen balances
42(F) = y4(V) + x4(L)
212.25 = 0.9573862(221.25) + (x4)(296.85)
x4 = 7.9529 10-3

2-13
 Table 2.7: Liquid Mole Fraction and Molar Flow Rate

Species Mole fraction, xA Liquid molar flow rate,

kmol/hr
IPA xIPA = 0.03722 xIPA(L) = 11.05
Acetone xacetone = 0.66854 xacetone(L) = 82.09
Water xwater = 0.2765 xwater(L) = 203.47
Hydrogen gas xhydrogen = 7.9529 10-3 xhydrogen(L) = 0.24

Table 2.8: Stream Table for Flash Distillation (T-101)

FHout 7 FCin
stream (78C, 3 atm) V (20C, 5atm) L (20C, 5atm)

kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr

species
IPA 11.17 671.23 0.12 7.17 11.05 664.15
Water 82.63 1 487.34 0.54 9.76 82.09 1 477.58
Acetone 212.25 12 331.73 8.78 509.85 203.47 11 821.87
Hydrogen 212.25 424.50 212.01 424.03 0.24 0.47
Total 518.30 14 914.88 221.45 950.81 296.85 13 964.07

Mass in = mass out

14 914.88 kg/hr = 950.81 + 13 964.07 kg/hr

14 914.88 kg/hr = 14 914.88 kg/hr [mass is balance]

2-14
 e) 2.1.3.5 T-102 (Absorber)

Absorber or scrubber unit used to remove some gas particulated from industrial gas
mixture. This acetone plant case, absorber (T-102) used to remove hydrogen gas
from product mixture that contain IPA, water, acetone and hydrogen. T-102 used
water to wash out hydrogen gas from product mixture.

Stream H2

V
Stream 16
H2O = 164 kmol/hr y1= kmol/hr IPA
y2 = kmol/hr C3H6O
y3 = kmol/hr H2O
350C,
y4= kmol/hr
3 atm H2
Stream 7 Stream 8
F
L
z1F=IPA = 0.12 kmol/hr
x1 = kg/hr IPA
z2F= H2O = 0.54 kmol/hr
x2 = kg/hr C3H6O
z3 F= C3H6O = 8.78 kmol/hr x3 = kg/hr H2O

z4 F= H2 = 212.01 kmol/hr x4 = kg/hr H2

Figure 2.5: Mass balance of absorber (T-102)

Assumption [2]:

1. With efficiency of 99.8%, about 96% hydrogen gas recovered at vapor

stream.
2. 99.7% collection efficiency of IPA leaves as bottom stream.
3. 76% of acetonecollection efficiency from stream 7 leave as bottom product.
4. 96% of H2O from stream 16 and 7 will leave bottom stream.

2-15
 DOF:

8 unknowns
- 4 atomic species balances
- 4 informations relates to unknown

IPA balances

I. Top stream
y1 = (0.002986) z1F
= (0.002986)(7.212)
= 0.02154 kg/hr

II. Bottom stream

x1 = (0.997) z1F
= (0.997)(7.212)
= 7.1905kg/hr

Acetone balances

I. Top stream
y2 = (0.2413) z2F
= (0.2413)( 510.118)
= 123.1098 kg/hr

II. Bottom stream

x2 = (0.7587) z2F
= (0.7587)(510.118)
= 387.006122kg/hr

2-16
H2O balances

I. Top stream
y3 = (0.04) z3F
= (0.04)( 2 961.72)
= 120.0681kg/hr

II. Bottom stream

x3 = (0.96) z3F
= (0.96)( 2 961.72)
= 2843.2512 kg/hr

H2 balances

I. Top stream
y4 = (0.9998) z4F
= (0.9998)(424.02)
= 423.17 kg/hr

II. Bottom stream

x4 = (0.0002) z4F
= (0.0002)(424.02)
= 0.085 kg/hr

2-17
 Table 2.9: Stream Table for Absorber (T-102)

7 Top Bottom
stream (20C, 5 atm) H2 8
(36C, 2 atm) (30 C, 3 atm)
species kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 0.12 7.21 1.29 0.022 0.12 7.19
Water 164.54 2 961.72 6.67 120.07 157.96 2 843.25
Acetone 8.78 510.118 2.12 123.11 6.66 387.01
Hydrogen 212.01 424.02 211.59 423.17 0.042 0.085
Total 385.45 3 903.07 221.67 666.37 164.78 3 237.53

Mass in = mass out

3 903.07 kg/hr = 666.37 + 3 237.53 kg/hr

3 903.07 kg/hr = 3 903.90 kg/hr [mass is balance

2-18
 f) 2.1.3.6 T-103 (Distillation Column)

Stream 8 Stream Ace

F

z1F= 0.12 kmol/hr IPA

V
z2F= 157.96 kmol/hr H2O
y1 = kmol/hr IPA
z3 F= 6.66 kmol/hr C3H6O y2 = kmol/hr C3H6O
z4 F= 0.042 kmol/hr H2 y3 = kmol/hr H2O
y4 = kmol/hr H2
90C,
Stream 9
3 atm
Stream 6 L
F

z1F=11.05 kmol/hr IPA x1 = kg/hr IPA

z2F= 82.09 kmol/hr H2O x2 = kg/hr C3H6O

z3 F = 203.47 kmol/hr C3H6O x3 = kg/hr H2O

x4 = kmol/hr H2
z4 F = 0.24kmol/hr H2

Figure 2.6: Mass balance of distillation column (T-103)

Assumption:

1. Efficiency of acetone leaving vapor stream = 99.99% [3].

2. Efficiency of IPA leaving bottom stream = 83% [3].
3. 100% of H2 from stream 6 and 8 which at 8.72 kmol/hr will leave to top
stream as at 90C, H2 totally vaporized in vapor phase. Assumed no H2 exist
at liquid phase.
4. 99.1% of H2O will leave bottom stream as it exist as liquid phase at 90C.

2-19
DOF:

8 unknowns
- 4 atomic species balances
- 4 assumptions relate to
unknown
0

IPA balances

I. Top stream
y1 = (0.17) z1
= (0.17)( 671.317)
= 114.12 kg/hr

II. Bottom stream

x1 = (0.83) z1
= (0.83)( 671.317)
= 557.19kg/hr

Acetone balances

I. Top stream
y2 = (0.9999) z2F
= (0.9999)( 12 208.553)
= 12 207.33kg/hr

II. Bottom stream

x2 = (0.0001) z2F
= (0.0001)( 12 208.553)
= 1.22kg/hr

2-20
H2O balances
I. Top stream
y3 = (0.009) z3F
= (0.009)( 4 320.9)
= 38.89 kg/hr

II. Bottom stream

x3 = (0.991) z3F
= (0.991)( 4 320.9)
= 4 282.01 kg/hr

H2 balances

I. Top stream
y4 = (1) z4F
= (1)( 1.11)
= 1.11 kg/hr

2-21
 Table 2.10: Stream Table for Distillation Column (T-103)

stream 6&8 Top Bottom

(81C, 5 atm) Ace 9
(56C, 1 atm) (88C, 1 atm)
species
kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 11.17 671.32 1.89 114.12 9.27 557.19
Water 240.05 4 320.90 2.16 38.89 237.89 4 282.01
Acetone 210.13 12 208.55 210.11 12 207.33 0.02 1.22
Hydrogen 0.55 1.11 0.55 1.11 0 0
Total 461.91 17 201.88 214.72 12 361.45 247.18 4 840.43

Mass in = mass out

17 201.88 kg/hr = 12 361.45 + 4 840.43 kg/hr

17 201.88 kg/hr = 17 201.88 kg/hr [mass is balance]

2-22
 g) 2.1.3.7 T-104 (Extractive Distillation Column 1)

Extractive distillation is a type of separation process used to separate azeotropic

mixture between IPA and water in the presence of heavy boiling entrainer namely
dimethyl sulfoxide (DMSO). DMSO do not form additional azeotropes with any of
other components and function to increase the relative volatility of the IPA and water
mixture far away from unity causing IPA to move toward top stream and water
toward bottom stream. Composition of component leaving top and bottom stream
are obtained from indicated optimum and economical extractive separation being
conducted.

Stream Re-IPA

V kg/hr

y1= 0.9999 = IPA

y2 = 9.99 105 = H2O

Stream DMSO
y3 = 9.177 105 = DMSO
1.0 kmol/hr DMSO [4]
0.021 kmol/hr C3H6O
90C,

1 atm
Stream 10
Stream 11
F
L kg/hr
Z1F = 9.27 kmol/hr IPA

Z2F= 237.89 kmol/hr H2O

x1 = 0.00001= IPA
Z3 F= 0.021 kmol/hr C3H6O
x2 = 0.9999= H2O

x3 = 0.9999 =DMSO

Figure 2.7: Mass balance for extractive distillation 1 (T-104)

2-23
Assumption:

1. Top stream consist of 0.9999 wt% IPA, 9.9910-5 wt% H2O, and 9.177
105 wt% DMSO [4].
2. Bottom stream consist of 0.0001 wt% IPA, 0.9999 wt% H2O, 0.9999 wt%
DMSO [4].
3. 100% C3H6O will leave top stream as at 90C, C3H6 will totally vaporize and
exist as vapor gas.

Degree of freedom:

3 unknowns
- 3 components balance

2-24
IPA balances

I. Top stream
y1 = (0.9999) z1F
= (0.9999)( 557.13)
= 557.07 kg/hr

II. Bottom stream

x1 = (0.0001) z2F
= (0.0001)( 557.13)
= 0.0557127 kg/hr

Acetone balances

I. Top stream
y2 = (1) z2F
= (1)( 1.22)
= 1.22 kg/hr

H2O balances

I. Top stream
y3 = (0.0001) z3F
= (0.0001)( 4282.02)
= 0.43 kg/hr

II. Bottom stream

x3 = (0.9999) z3F
= (0.9999)( 4 282.02)
= 4 281.59 kg/hr

2-25
 DMSO balance

I. Top stream
y4 = (0.0001) z4F
= (0.0001)( 78.13)
= 0.0001 kg/hr

II. Bottom stream

x4 = (0.9999) z4F
= (0.9999)( 78.13)
= 78.12 kg/hr

Table 2.11: Stream Table for Extractive Distillation 1 (T-104)

stream 10 & DMSO Re-IPA 11

(90C, 5 atm) (top) (bottom)

(50C, 1 atm)
species kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 9.27 557.13 9.27 557.07 0.00093 0.0567
Water 237.89 4 282.02 0.024 0.43 237.87 4 281.59
Acetone 0.021 1.22 0.021 1.22 0 0
DMSO 1 78.13 0.61 0.0078 0.9999 78.12
Total 248.18 4 918.49 9.92 558.73 238.87 4 359.77

Mass in = mass out

4 918.49 kg/hr = 558.73 + 4 359.77kg/hr

4 918.49 kg/hr = 4 918.50 kg/hr [mass is balance]

2-26
 h) 2.1.3.8 T-105 (Extractive Distillation Column 2)

Bottom stream from T-104 will enter extractive distilation column 2 to

separate the mixture between water, IPA and DMSO. DMSO with the highest boiling
point which is 189C will be least volatile comparing with water and IPA which have
boiling point of 100C and 82.3C and produce almost pure DMSO at the bottom
stream and almost pure water at top stream. Since only a little IPA entering T-105,
assume that at operating condition 100% of IPA leaving the top stream. Based on
the assumption above, flow rate of each component leaving top and bottom stream
can be calculated by applying same method of calculation like T-102. DMSO
produced from stream 17 will be recycled back to DMSO stream at T-104.

Stream H2O

y1 = IPA
y2= H2O
y3= DMSO

Stream 13
F
Z1F= 0.00093 kmol/hr IPA 50C, Stream 19
1 atm L
Z2F = 0.9999 kmol/hr DMSO

Z3F = 237.87 kmol/hr H2O

x1 = IPA

x2 =H2O

x3= DMSO

Figure 2.8: Mass balance on extractive distillation column 2 (T-105)

Assumption:

1. Efficiency of DMSO leaving bottom stream is 99.9% [5]

2. Purity of water leaving top stream is 99% [5]

2-27
 3. 100% of IPA volatile and leaving top stream.

Degree of freedom:

6 unknowms
- 3 component balances
- 2 equations related to unkownn
- 1 independent reaction species (IPA)

Table 2.12: Stream Table for Extractive Distillation 2 (T-105)

16 H2O 17
stream (81C, 1 atm) (top) (bottom)

species
(81C, 1 atm)
kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 0.00093 0.056 0.00093 0.056 0 0
water 237.87 4 281.66 235.49 4 238.84 2.38 42.82
DMSO 0.9999 78.12 0.001 0.078 0.999 78.04
Total 238.87 4 359.84 235.49 4 238.98 3.38 120.86

Mass in = mass out

4 359.84 kg/hr = 4 238.98 + 120.86 kg/hr

4 359.84 kg/hr = 4 359.84 kg/hr [mass is balance]

2-28
 i) 2.1.3.9 M-101 (Mixer RE-IPA and IPA feed)

Stream 18
IPA = 9.27 kmol/hr

2
H2O = 0.024 kmol/hr Stream 2

5C,

atm
223.42 kmol/hr IPA

1
Stream IPA 82.63
kmol/hr H2O
feed

IPA = 1

kmol/hr

H2O Figure
= 2.9:
2 Mass balance on mixer (M-101)

kmol/hr
I. IPA balances

IPA in = IPA out

9.27 + 1 = 223.42
1 = 214.15 kmol/hr

II. H2O balances

H2O in = H2O out

0.024 + 1 = 82.63

1 = 82.61 kmol/hr

2-29
 Table 2.13: Stream Table for Mixer (M-101)

In Out
stream IPA feed ` 18 2
species
kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 214.15 12 870.42 9.27 557.13 223.42 13
427.54
Water 82.61 1 486.98 0.024 0.432 82.63 1 487.34
Total 296.76 14 357.4 9.29 557.56 306.05 14
914.88

Mass in = mass out

14 357.40 + 557.56 kg/hr = 14 914.88 kg/hr

14 914.96 kg/hr = 14 914.88 kg/hr [mass is balance

j) 2.1.3.10 S-101 (Splitter)

Stream RE-
H2O

Stream H2O 1 kmol/hr

IPA
1C,
atm

0.0093 2 kmol/hr
1

H2O
kmol/hr IPA
8

Stream 21
3 kmol/hr
235.49 DMSO
4 kmol/hr IPA
5 kmol/hr
kmol/hr H2O
H2O
0.078 6 kmol/hr
DMSO
kmol/hr DMSO

Figure 2.10: Mass balance on splitter (S-101)

2-30
 Table 2.14: Stream Table for Splitter (M-101)

In Out
stream H2O RE-H2O 21

kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr

species
IPA 0.00093 0.056 0.00093 0.056 0 0
Water 235.49 4 238.84 23.55 2 119.42 211.94 3 814.96
DMSO 0.078 0.001 1.2x10-5 0.0009 1.2x10-6 0.0001
Total 296.76 4 238.89 23.55 423.94 211.94 3 814.96

Mass in = mass out

14 357.40 + 557.56 kg/hr = 14 914.88 kg/hr

14 914.96 kg/hr = 14 914.88 kg/hr [mass is balance]

2-31
2.1.4 Overall Block Diagram

ACE
H
2
RE-H2O
T-102
S8
S-101
S21

S18

H2O
S
4 R-101 T-101 T-103 T-104 T-105
I
PA
feed

DMSO
S19

Figure 2.11: Overall block diagram

2-32
 ACE

I
PA feed
Acetone Production Plant H2

D from Isopropanol
MSO
W
ater

Figure 2.12: Overall mass balance

Table 2.15: Stream Table for Overall Mass Balance

2-33
 stream In Out
IPA feed ACE H2 21
species kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr kmol/hr kg/hr
IPA 223.42 13 427.54 1.89 114.12 1.29 0.022 0 0
H2O 82.63 1 487.34 2.16 38.89 6.67 120.07 211.94 3 814.96
C3H6O - - 210.11 12 207.33 2.12 123.11 - -
H2 - - 0.55 1.11 211.59 423.17 - -
DMSO 1 78.13 - - - - 1.2x10-6 0.0001
Total 296.76 14 993.01 214.72 12 361.45 221.67 666.37 211.94 3 814.96

2-34
 Mass in = mass out

14 993.01 kg/hr = (12 361.45 + 666.37 + 3 814.96) kg/hr

14 993.01 kg/hr 16 842.7811 kg/hr

16 842.78 14 993.01
Percentage error = 100% = 11%
16 842.78

From the overall mass balance, acetone acquired from stream ACE as
presented in Table 2.15 is 12 207.33kg/hr that equivalent with 99 025.86 tonnes/year.
This acetone plant is expected to produce about 100 000 tonnes of acetone annually.
However there are about 0.97% difference in the acetone production based on the
mass balance calculation. This kind of difference may be due some problems arised
during reaction and separation process such as product loss during heating and cooling
process. Error between manual calculation and aspen can be calculated via equation 8.
Table 2.16 shown the error achieved between the two values. As the error are equal
and than 2% thus value obtained from manual calculation can be accepted.

aspenmanual
Percentage error = aspen
100%

(8)

Table 2.16: Percentage Error between Manual Calculation and Aspen Value

Stream Manual (kmol/hr) Aspen (kmol/hr) Percentage error (%)

Inlet IPA feed 296.76 302.162 1.79

DMSO 1 1 0
`outlet ACE 214.72 217.81 1.42
H2 221.67 224.89 1.43
21 211.94 216.77 2.23

2-36
2.2 ENERGY BALANCE

2.2.1 Introduction
In industries, it has always recognized that wasting energy leads to reduce
profits, but throughout most of this century the cost of energy was often an insignificant
part of the overall production cost and gross operational inefficiencies were tolerated. If
a plant uses more energy than its competitors, its product could be priced out of the
marketplace. Thus, it is important to account carefully for the energy that flow into and
out of each process unit and to determine the overall energy requirement for the
process.

2.2.2 Assumption on energy balance

Energy balance in the chemical plant is the basic for designing. Energy balance
is made based on the components that are involved in the reaction of our plant. For the
energy calculation, some assumptions are made:

1. The processes follow the law of conservation of energy where:

Energy Out = Energy In + Generation Consumption Accumulation

2. Steady state condition in all equipment.

3. Nitrogen gas is considered as inert gas. So it will be neglect for energy calculation.
4. The effect of the catalyst in the energy balance is neglected because they are
elemental species and not involved in the reaction.
5. Kinetics and potential energies are neglected for these streams and considers only
enthalpy changes.
6. As the standard reference state for enthalpy, where
H= 0, Po = 1 atm, T= 298 K ; elemental species is considered ( Felder & Rousseau,
2000)
7. Assume no H of mixing or pressure effect on H ( but large pressure changes and
small temperature changes, then consider pressure).

2-37
8. No other heat outlet or inlet from the surrounding, each unit operation and pipe in the
system is assumed perfectly insulated.
9. All equipment is assumed working in ideal condition
[Sources : (Felder &Rousseau, Chemical Process Principle 2000)]

2.2.3 Equations Used in Calculations

Energy balances are made to determine the energy requirements of the process
such as heating, cooling and power required. In plant operation, an energy balance on
the plant will show the pattern of energy usage and suggest areas for conservations
and savings. The conservation of energy, however, differs from that of mass in that
energy can be generated or consumed in a chemical process. The equation that used
to calculate the heat, Q or work, W on each of equipment is:
Q -Ws = H + Ek + Ep

If there are no moving parts in the system and no energy is transferred by electricity or
radiation, so W = 0. If no significant vertical distance separates the inlet and outlet
ports, so PE= 0. If there are no phase changes and no negligible temperature
changes occur, so KE= 0.

Ws =0 ,Ek =0, Ep=0

The energy balance reduces to:

Q =H

Equation for Process with Phase Changes as shown as below:

= +
-

Equation for Non-reactive Process which is:

= ni( )

2-38
or

]
= ni[ +

Equation use pressure change:

= P + ( ) for solid and liquid

For all but large pressure changes and small temperature changes, the
equation that use pressure change is usually negligible. To calculate H, have to find
the Cp values for every component in each of the stream. To find the Cp values, have
to use several equations because not all components have same equation to calculate
H.

First by using equation from appendix B, Elementary Principles of Chemical

Processes book, Richard M. Felder and Ronald W. Rousseau. The components that
use the equation from this book are water, hydrogen, isopropanol (IPA), acetone and
dimethyl sulfoxide (DMSO). The heat capacities of water, hydrogen and acetone are
taken in Elementary Principles of Chemical Processes book by Richard M. Felder and
Ronald W. Rousseau, while the heat capacities of IPA and DMSO are taken in Perry's
Chemical Engineers' Handbook by Robert H. Perry. The values of a, b, c and d are
taken from the book used. The equation of heat capacity is as below:

Cp [kJ /mol.0C] or [kJ /mol.K] = a+ bT+ cT2 + dT3

For the reference state, the conditions that use for the calculation use in energy
balance are the inlet of the streams of every unit. Hence the sensible heat of the
substances in standard condition is equal to zero.

2-39
2.2.4 Energy balance of every units

2.2.4.1 E-101 (Vapouriser)

E-101 300C, 1 atm

25.4C, 1 atm
IPA IPA 1 IPA
H2O 2 H2O
H2O

Figure 2.13: Energy balance on vapouriser (E -101)

Reference state: IPA (liquid phase, 25.4C, 1 atm)

H2O (liquid phase, 25.4C, 1 atm)

Table 2.17: Enthaply table for vaporiser (E-101)

Substance nin (kmol/hr) Hin (kJ/mol) nout (kmol/hr) Hout (kJ/mol)

IPA 223.71 0 223.71 76.94

H2O 84.62 0 84.62 50.213

For H1 (IPA),

IPA (liquid phase, 218C, 1 atm) IPA (gas phase, 300C, 1 atm)

For H1a :

IPA (liquid phase, 25.4C, 1 atm) IPA (liquid phase, 300C, 1 atm)

300
H1a = 25.4

2-40
 300
H1a = 25.4 (1.5876 105 ) + (6.35102 ) + (1.9690) 2

H1a = 32.94 kJ/mol

For H1b:

IPA (liquid phase, 25.4C, 1 atm) IPA (gas phase, 300C, 1 atm)

H1b = v (Tb)IPA

= 44.0 kJ/mol

H1 = 32.94 + 44.0

= 76.94 kJ/mol

For H2 (H2O),

H2O (liquid phase, 25.4C, 1 atm) H2O (gas phase, 300C, 1 atm)

For H2a :

H2O (liquid phase, 25.4C, 1 atm) H2O (gas phase, 218C, 1 atm)

H2a = v (Tb)

= 40. 656 kJ/mol

For H2b :

H2O (gas phase, 25.4C C, 1 atm) H2O (gas phase, 300C, 1 atm)

300
H2b = 25.4

300
= 25.4 a + bT + cT2 + dT3

300
= 25.4 (33.4610-3) + (0.688010-5)T + (0.760410-8)T2 (3.59310-12)T3

= 9.56 kJ/mol

2-41
 H2 = 40. 656 + 9.56

= 50.213 kJ/mol

Hence,

Q = niHi - niHi

Q = 21461271.46 - 0

Q = 21461271.46 kJ/h

Q = 5961.464 kJ/s

2.2.4.2 C-101 (Vapour Compressor)

350 C, 1 atm 465 C, 3 atm

C-101

IPA IPA

H2O H2O

C3H6O C3H6O

H2 H2

Figure 2.14: Energy balance on Vapour Compressor (C-101)

Reference state: IPA (gas phase, 350 C, 1 atm)

H2O (gas phase, 350 C, 1 atm)

C3H6O (gas phase, 350 C, 1 atm)

H2 (gas phase, 350 C, 1 atm)

2-42
 Table 2.18: Enthaply table for vapour compressor (C-101)

Substance nin (kmol/hr) Hin (kJ/mol) nout (kmol/hr) Hout (kJ/mol)

IPA 7.38 0 228.83 10314.284

H2O 84.64 0 84.64 4.292

C3H6O 216.31 0 216.31 15.527

H2 216.31 0 216.31 3.376

For H1 (IPA),

IPA (gas phase, 350C, 1 atm) IPA (gas phase, 465C, 3 atm)

For H1a :

IPA (gas phase, 350C, 1 atm) IPA (gas phase, 465C, 1 atm)

465
H1a = 350

465
= 350 a + bT + cT2 + dT3

465
= 350 (0.6190) + (2.0213)T + (1.6293)T2 + (1.2956)T3

= 10314.269 kJ/mol

H1b : IPA (gas phase, 465 C, 1 atm) IPA (gas phase, 465C, 3 atm)

1L (3-1 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

2-43
 H1b = 0.0157 kJ/mol

H1= H1a + H1b

= 10314.269 + 0.0157

= 10314.284 kJ/mol

For H2 (H2O) :

H2O (gas phase, 350C C, 1 atm) H2O (gas phase, 465C, 3 atm)

For H2a :

H2O (gas phase, 350C C, 1 atm) H2O (gas phase, 465C, 1 atm)

465
H2a = 350

465
= 350 a + bT + cT2 + dT3

465
= 350 (33.4610-3) + (0.688010-5)T + (0.760410-8)T2 (3.59310-12)T3

= 4.288 kJ/mol

H2b : H2O (gas phase, 465 C, 1 atm) H2O (gas phase, 465C, 3 atm)

1L (3-1 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H2b = 0.0037 kJ/mol

H2= H2a + H2b

= 4.288 + 0.0037

= 4.292 kJ/mol

2-44
 For H3 (C3H6O) :

C3H6O (gas phase, 350 C, 1 atm) C3H6O (gas phase, 465C, 3 atm)

H3a : C3H6O (gas phase, 350 C, 1 atm) C3H6O (gas phase, 465C, 1 atm)

465
H3a = 350

465
= 350 a + bT + cT2 + dT3

465
= 350 (71.96 x10-3) + (20.1x10-5)T - (12.78x10-8)T2 + (34.76x10-12)T3

= 15.514 kJ/mol

H3b : C3H6O (gas phase, 465 C, 1 atm) C3H6O (gas phase, 465C, 3 atm)

1L (3-1 atm) 50.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H3b = 0.0128 kJ/mol

H3 = H3a + H3b

= 15.514 + 0.0128

= 15.527 kJ/mol

For H4 (H2) :

H2 (gas phase, 350 C, 1 atm) H2 (gas phase, 465C, 3 atm)

H4a: H2 (gas phase, 350 C, 1 atm) H2 (gas phase, 465C, 1 atm)

2-45
 465
H4a = 350

465
= 350 a + bT + cT2 + dT3

465
= 350 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

= 3.376 kJ/mol

H4b: H2 (gas phase, 465 C, 1 atm) H2 (gas phase, 465C, 3 atm)

1L (3-1 atm) 2.016 0.008314 kJ mol.K

0 1000 mol mol.K 0.08206 L.atm

H4b = 0 kJ/mol

H4 = H4a + H4b

= 3.376 kJ/mol

Q = niHi - niHi

Q = 1.2241012 0

Q = 1.2241012 kJ/h

Q = 340049471.1 kJ/s

2-46
2.2.4.3 R-101 (Reactor)

300 C, 1 atm R-101 350 C, 1 atm

IPA (1 atm, 250 C) IPA

H2O H2O

C3H6O

H2

Figure 2.15: Energy balance on Reactor (R-101)

Reference state: IPA (gas phase, 300 C, 1 atm)

H2O (gas phase, 300 C, 1 atm)

Table 2.19: Enthalpy table for reactor (R-101)

Subtance nin (kmol/hr) Hin (kJ/mol) nout (kmol/hr) Hout (kJ/mol)

IPA 223.70 0 7.38 2245.59

H2O 84.62 0 84.62 1.819

C3H6O - - 216.31 -182.76

H2 - - 216.31 9.4213

For H1 (IPA),

IPA (gas phase, 300C, 1 atm) IPA (gas phase, 350C, 1 atm)

2-47
 350
H1 = 300

350
= 300 a + bT + cT2 + dT3

350
= 300 (0.6190) + (2.0213)T + (1.6293)T2 + (1.2956)T3

= 2245.59 kJ/mol

For H2 (H2O),

H2O (gas phase, 300C, 1 atm) H2O (gas phase, 350C, 1 atm)

350
H2 = 300

350
= 300 a + bT + cT2 + dT3

350
= 300 (33.4610-3) + (0.688010-5)T + (0.760410-8)T2 (3.59310-12)T3

= 1.819 kJ/mol

For H3 (C3H6O),

For H3a :

C3H6O (liquid phase, 25C, 1 atm) C3H6O (gas phase, 25C, 1 atm)

H3a = (f) C3H6O (v)

= -216.7 kJ/mol

For H3b :

C3H6O (gas phase, 25C, 1 atm) C3H6O (gas phase, 350C, 1 atm)

350
H3b = 25

350
= 25 a + bT + cT2 + dT3

2-48
 350
= 25 (71.9610-3) + (20.1010-5)T - (12.7810-8)T2 + (34.7610-12)T3

= 33.94 kJ/mol

H3 = H3a + H3b

= -216.7 + 33.94

= -182.76 kJ/mol

For H4 (H2),

H2 (gas phase, 25C, 1 atm) H2 (gas phase, 350C, 1 atm)

350
H4 = 25

350
= 25 a + bT + cT2 + dT3

350
= 25 (28.8410-3) + (0.0076510-5)T + (0.328810-8)T2 - (0.869810-12)T3

= 9.4213 kJ/mol

Q = niHi - niHi

Q = -20768797.42 0

Q = -20768797.42 kJ/h

Q = -5769.11 kJ/s

2-49
2.2.4.4 E-102 (Reactor Effluent Condenser)

20C, 5 atm 190C, 5 atm

E-102
IPA 1
IPA
IPA
H2O H2O
2 H2O
C3H6O C3H6O

H2 H2

Figure 2.16: Energy balance on Reactor Effluent Condenser (E-102)

Reference state: IPA (gas phase, 20 C, 5 atm)

H2O (gas phase, 20 C, 5 atm)

C3H6O (gas phase, 20 C, 5 atm)

H2 (gas phase, 20 C, 5 atm)

Table 2.20: Enthalpy table for Reactor Effluent Condenser (E-102)

Substance nin (kmol/hr) Hin (kJ/mol) nout (kmol/hr) Hout (kJ/mol)

IPA 7.30 0 7.30 425.815

H2O 84.06 0 84.06 4.911

C3H6O 207.24 0 207.24 15.541

H2 0.23 0 0.23 4.911

2-50
For IPA :

IPA (gas phase, 20 C, 5 atm) IPA (gas phase, 190C, 5 atm)

190
H1 = 20

190
H1 = 20 a + bT + cT2 + dT3

190
H1 = 20 (0.6190) + (2.0213)T + (1.6293)T2 + (1.2956)T3

H1 = 425.815 kJ/mol

For H2O :

H2O (gas phase, 20 C, 5 atm) H2O (gas phase, 190C, 5 atm)

190
H2 = 20

190
H2 = 20 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

H2 = 4.911 kJ/mol

For C3H6O :

C3H6O (gas phase, 20 C, 5 atm) C3H6O (gas phase, 190C, 5 atm)

190
H3 = 20 (71.96 x10-3) + (20.10 x10-5)T - (12.78 x10-8)T2 + (34.76 x10-12)T3

H3 = 15.541 kJ/mol

For H2 :

H2 (gas phase, 20 C, 5 atm) H2 (gas phase, 190C, 5 atm)

190
H4 = 20

190
= 20 a + bT + cT2 + dT3

2-51
 190
= 20 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

= 4.911 kJ/mol

Q = niHi - niHi

Q = 9963831.37 - 0

Q = 9963831.37 kJ/h

Q = 2767.731 kJ/s

2.2.4.5 T-101 (Flash Distillation 1)

20 C, 5 atm

IPA

C3H6O

78 C, 3 atm H2 O

H2
IPA

C3H6O

H2O 20 C, 5 atm
H2
IPA

C3H6O

H2 O

H2

Figure 2.17: Energy balance on flash distillation (T-101)

2-52
Reference state: IPA (liquid phase, 78 C, 3 atm)

C3H6O (liquid phase, 78 C, 3 atm)

H2O (liquid phase, 78 C, 3 atm)

H2 (liquid phase, 78 C, 3 atm)

Table 2.21: Enthalpy table for flash distillation (T-101)

Top Top Bottom Bottom

Substance nin(kmol/hr) Hin(kJ/mol) nout(kmol/hr) Hout(kJ/mol) nout(kmol/hr) Hout(kJ/mol)

IPA 7.38 0 0.08 31.819 7.30 -7.694

C3H6O 216.31 0 9.06 25.488 207.24 -4.712

H2O 84.64 0 0.55 38.699 84.06 -4.369

H2 216.32 0 216.07 -0.769 0.23 -1.673

For IPA (Top)

IPA (liquid phase, 78C, 3 atm) IPA (gas phase, 20C, 5 atm)

H1a : IPA (liquid phase, 78C, 3 atm) IPA (gas phase, 78C, 3 atm)

H1a = v (Tb) IPA

H1a = 44.0 kJ/mol

H1b : IPA (gas phase, 78C, 3 atm) IPA (gas phase, 78C, 5 atm)

2-53
1L (5-3 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H1b = 0.0157 kJ/mol

H1c : IPA (gas phase, 78C, 5 atm) IPA (gas phase, 20C, 5 atm)

20
H1c = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (0.6190) + (2.0213)T + (1.6293)T2 + (1.2956)T3

= -12.197 kJ/mol

H1 = H1a + H1b + H1c

H1 = 44.0 + 0.0157 + -12.197

H1 = 31.819 kJ/mol

For C3H6O (Top)

C3H6O (liquid phase, 78C, 3 atm) C3H6O (gas phase, 20C, 5 atm)

H2a : C3H6O (liquid phase, 78C, 3 atm) C3H6O (gas phase, 78C, 3 atm)

H2a = v (Tb)Acetone

H2a = 30.2 kJ/mol

2-54
H2b : C3H6O (gas phase, 78C, 3 atm) C3H6O (gas phase, 78C, 5 atm)

1L (5-3 atm) 50.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H2b = 0.0128 kJ/mol

H2c : C3H6O (gas phase, 78C, 5 atm) C3H6O (gas phase, 20C, 5 atm)

20
H2c = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (71.96 x10-3) + (20.1x10-5)T - (12.78x10-8)T2 + (34.76x10-12)T3

= -4.725 kJ/mol

H2 = H2a + H2b + H2c

= 30.2 + 0.0128 + -4.725

= 25.488 kJ/mol

For H2O (Top)

H2O (liquid phase, 78C, 3 atm) H2O (gas phase, 20C, 5 atm)

H3a : H2O (liquid phase, 78C, 3 atm) H2O (gas phase, 60C, 3 atm)

H3a = v (Tb)H20

H3a = 40.656 kJ/mol

2-55
H3b : H2O (gas phase, 78C, 3 atm) H2O (gas phase, 78C, 5 atm)

1L (5-3 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H3b = 0.0037 kJ/mol

H3c : H2O (gas phase, 78C, 5 atm) H2O (gas phase, 20C, 5 atm)

20
H3c = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (33.46 x10-3) + (0.688x10-5)T + (0.7604x10-8)T2 - (3.593x10-12)T3

= -1.961 kJ/mol

H3 = H3a + H3b + H3c

= 40.656 + 0.0037 + -1.961

= 38.699 kJ/mol

For H2 (Top)

H2 (liquid phase, 78C, 3 atm) H2 (gas phase, 20C, 5 atm)

H4a : H2 (liquid phase, 78C, 3 atm) H2 (gas phase, 60C, 3 atm)

H4a = v (Tb)H2

H4a = 0.904 kJ/mol

2-56
H4b : H2 (gas phase, 78C, 3 atm) H2 (gas phase, 78C, 5 atm)

1L (5-3 atm) 2.016 0.008314 kJ mol.K

0 1000 mol mol.K 0.08206 L.atm

H4b = 0 kJ/mol

H4c : H2 (gas phase, 78C, 5 atm) H2 (gas phase, 20C, 5 atm)

20
H4c = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

= -1.673 kJ/mol

H4 = H4a + H4b + H4c

= 0.904 + 0 + -1.673

= -0.769 kJ/mol

For IPA (Bottom)

IPA (liquid phase, 78C, 3 atm) IPA (liquid phase, 20C, 5 atm)

H5a : IPA (liquid phase, 78C, 3 atm) IPA (liquid phase, 78C, 5 atm)

2-57
1L (5-3 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H5a = 0.0157 kJ/mol

H5b : IPA (liquid phase, 78C, 5 atm) IPA (liquid phase, 20C, 5 atm)

20
H5b = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (1.5876x105) + (-6.35x102)T + (1.9690)T2

= -7.710 kJ/mol

H5 = H5a + H5b

= 0.0157 + -7.710

= -7.694 kJ/mol

For C3H6O (Bottom)

C3H6O (liquid phase, 78C, 3 atm) C3H6O (liquid phase, 20C, 5 atm)

H6a : C3H6O (liquid phase, 78C, 5 atm) C3H6O (liquid phase, 78C, 3 atm)

1L (5-3 atm) 50.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H6a = 0.0128 kJ/mol

2-58
H6b : C3H6O (liquid phase, 78C, 5 atm) C3H6O (liquid phase, 20C, 5 atm)

20
H6b = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (71.96 x10-3) + (20.1x10-5)T - (12.78x10-8)T2 + (34.76x10-12)T3

= -4.725 kJ/mol

H6 = H6a + H6b

= 0.0128 + -4.725

= -4.712 kJ/mol

For H2O (Bottom)

H2O (liquid phase, 78C, 3 atm) H2O (liquid phase, 20C, 5 atm)

H7a : H2O (liquid phase, 78C, 3 atm) H2O (liquid phase, 78C, 5 atm)

1L (5-3 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H7a = 0.0037 kJ/mol

H7b : H2O (gas phase, 78C, 5 atm) H2O (gas phase, 20C, 5 atm)

20
H7b = 78

20
= 78 a + bT + cT2 + dT3

2-59
 20
= 78 75.4 x10-3

= -4.373 kJ/mol

H7 = H7a + H7b

= 0.0037 + -4.373

= -4.369 kJ/mol

For H2 (Bottom)

H2 (liquid phase, 78C, 3 atm) H2 (liquid phase, 20C, 5 atm)

H8a : H2 (liquid phase, 78C, 3 atm) H2 (liquid phase, 78C, 5 atm)

1L (5-3 atm) 2.016 0.008314 kJ mol.K

0 1000 mol mol.K 0.08206 L.atm

H8a = 0 kJ/mol

H8b : H2 (liquid phase, 78C, 5 atm) H2 (liquid phase, 20C, 5 atm)

20
H8b = 78

20
= 78 a + bT + cT2 + dT3

20
= 78 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

= -1.673 kJ/mol

2-60
H8 = H8a + H8b

= 0 + -1.673

= -1.673 kJ/mol

Q = niHi - niHi

Q = -1311575.98 - 0

Q = -1311575.98 kJ/h

Q = -364.33 kJ/s

2.2.4.6 E-103 (Cooler)

91C, 1 atm 81C, 1 atm

E-103 1 IPA

2 H2O
H2 H2O
O DMSO
D
MSO

Figure 2.18 Energy balance on acetone reboiler (E-103)

Reference state: H2O (liquid phase, 91 C, 1 atm)

DMSO (liquid phase, 91 C, 1 atm)

2-61
Table 2.22: Enthalpy table on acetone reboiler (E-103)

Substance nin (kmol/hr) Hin (kJ/mol) nout (kmol/hr) Hout (kJ/mol)

H2O 243.16 0 242.16 -0.341

DMSO 11.11 0 11.11 -168.175

For H2O,

H2O (liquid phase, 91C, 1 atm) H2O (liquid phase, 81C, 1 atm)

81
H2 = 91

81
H2 = 91 (33.4610-3) + (0.68810-5)T + (0.760410-8)T2 - (3.59310-12)T3

H2 = -0.341 kJ/mol

For DMSO,

DMSO (liquid phase, 91C, 1 atm) DMSO (liquid phase, 81C, 1 atm)

81
H3 = 91

81
H3 =91 (0.514810-5) + (1.442010-5)T + (1.603410-3)T2 + (0.774710-5)T3

H3 = -168.175 kJ/mol

Q = niHi - niHi

Q = -1951000.81 kJ/h

Q = -541.945 kJ/s

2-62
2.2.4.7 T-102 (Absorber)

36C, 2 atm

20C, 5 atm IPA

C3H6O
H2O
H2O

20C, 5 atm H2

IPA
30 C, 3 atm
C3H6O
H2O

H2

IPA
C3H6O
H2O
H2
Figure 2.19: Energy balance on absorber (T-102)

Reference state: H2O (liquid phase, 20C, 5 atm)

IPA (liquid phase, 20C, 5 atm)

C3H6O (liquid phase, 20C, 5 atm)

H2(liquid phase, 20C, 5 atm)

2-63
 Table 2.23: Energy balance on absorber (T-102)

Top Top Bottom Bottom

Substance nin(kmol/hr) Hin(kJ/mol) nout(kmol/hr) Hout(kJ/mol) nout(kmol/hr) Hout(kJ/mol)

IPA 0.12 0 1.29 44.49 0.12 1.425

H2O 164.54 0 6.67 41.857 157.96 0.750

C3H6O 8.78 0 2.12 1190541 6.66 724.609

H2 212.01 0 211.59 1.366 0.042 0.288

For IPA (Top)

IPA (liquid phase, 20C, 5 atm) IPA (gas phase, 36C, 2 atm)

H1a : IPA (liquid phase, 20C, 5 atm) IPA (gas phase, 20C, 5 atm)

H1a = v (Tb) IPA

H1a = 44.0 kJ/mol

H1b : IPA (gas phase, 20C, 5 atm) IPA (gas phase, 20C, 2 atm)

H1b =

1L (2-5 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H1b = -0.024 kJ/mol

2-64
H1c : IPA (gas phase, 20C, 2 atm) IPA (gas phase, 36C, 2 atm)

36
H1c = 20

36
H1c = 20 a + bT + cT2 + dT3

36
H1c = 20 (0.6190) + (2.0213) T + (1.6293)T2 + (1.2956)T3

H1c = 0.514 kJ/mol

H1 = H1a + H1b + H1c

H1 = 44.0 + -0.024 + 0.514

H1 = 44.49 kJ/mol

For H2O (Top)

H2O (liquid phase, 20C, 5 atm) H2O (gas phase, 36C, 2 atm)

H2a : H2O (liquid phase, 20C, 5 atm) H2O (gas phase, 20C, 5 atm)

H2a = v (Tb) H2O

H2a = 40.656 kJ/mol

H2b : H2O (gas phase, 20C, 5 atm) H2O (gas phase, 20C, 2 atm)

H2b =

1L (2-5 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H2b = -0.00546 kJ/mol

2-65
H2c : H2O (gas phase, 20C, 2 atm) H2O (gas phase, 36C, 2 atm)

36
H2c = 20

36
H2c = 20 75.410-3

H2c = 1.206 kJ/mol

H2 = H2a + H2b + H2c

H2 = 40.656 + -0.00546 + 1.206

H2 = 41.857 kJ/mol

For C3H6O (Top)

C3H6O (liquid phase, 20C, 5 atm) C3H6O (gas phase, 36C, 2 atm)

H3a : C3H6O (liquid phase, 20C, 5 atm) C3H6O (gas phase, 20C, 5 atm)

H3a = v (Tb) C3H6O

H3a = 30.2 kJ/mol

H3b : C3H6O (gas phase, 20C, 5 atm) C3H6O (gas phase, 20C, 2 atm)

H3b =

1L (2-5 atm) 58.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H3b = -0.0223 kJ/mol

2-66
H3c : C3H6O (gas phase, 20C, 2 atm) C3H6O (gas phase, 36C, 2 atm)

36
H3c = 20

36
H3c = 20 (71.96) + (20.110-3)T - (12.7810-8)T2 - (34.7610-12)T3

H3c = 1160.363 kJ/mol

H3 = H3a + H3b + H3c

H3 = 30.2 + -0.0223 + 1160.363

H3 = 1190541 kJ/mol

For H2(Top)

H2 (liquid phase, 20 C, 5 atm) H2(gas phase, 36C, 2 atm)

H4a : H2 (liquid phase, 20 C, 5 atm) H2(gas phase, 20 C, 5 atm)

H4a = v (Tb)H2

H4a = 0.904 kJ/mol

H4b : H2 (gas phase, 20 C, 5 atm) H2(gas phase, 36 C, 5 atm)

36
H4b = 20

36
H4b= 20 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

H4b= 0.462 kJ/mol

2-67
H4c : H2 (gas phase, 36 C, 5 atm) H2 (gas phase, 36 C, 2 atm)

1L (2-5 atm) 2.016 0.008314 kJ mol.K

0 1000 mol mol.K 0.08206 L.atm

H4c = 0 kJ/mol

H4 = H4a + H4b + H4c

H4 = 0.904 + 0.462 + 0

H4 = 1.366 kJ/mol

For IPA (Bottom)

IPA (liquid phase, 20C, 5 atm) IPA (liquid phase, 30C, 3 atm)

H1a : IPA (liquid phase, 20C, 5 atm) IPA (liquid phase, 20C, 3 atm)

H1a =

1L (3-5 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H1a = -0.016 kJ/mol

H1b : IPA (liquid phase, 20 C, 3 atm) IPA (liquid phase, 30C, 3 atm)

30
H1b = 20

2-68
 30
H1b = 20 (1.5876x105) + (-6.35x102)T + (1.9690)T2

H1b = 1.441 kJ/mol

H1 = H1a + H1b

H1 = -0.016 + 1.441

H1 = 1.425 kJ/mol

For H2O (Bottom)

H2O (liquid phase, 20 C, 5 atm) H2O (liquid phase, 30C, 3 atm)

H2a : H2O (liquid phase, 20 C, 5 atm) H2O (gas phase, 20C, 3 atm)

H2a =

1L (3-5 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H2a = -0.00365 kJ/mol

H2b : H2O (gas phase, 20C, 3 atm) H2O (gas phase, 30C, 3 atm)

30
H2b = 20

30
H2b = 20 75.410-3

H2b = 0.754 kJ/mol

2-69
 H2 = H2a + H2b

H2 = -0.00365 + 0.754

H2 = 0.750 kJ/mol

For C3H6O (Bottom)

C3H6O (liquid phase, 20C, 5 atm) C3H6O (liquid phase, 30C, 3 atm)

H3a : C3H6O (liquid phase, 20C, 5 atm) C3H6O (liquid phase, 20C, 3 atm)

H3a =

1L (3-5 atm) 58.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H3a = -0.015 kJ/mol

H3b : C3H6O (liquid phase, 20C, 3 atm) C3H6O (gas phase, 30C, 3 atm)

30
H3b = 20

30
H3b = 20 (71.96) + (20.110-3)T - (12.7810-8)T2 - (34.7610-12)T3

H3b = 724.624 kJ/mol

H3 = H3a + H3b

H3 = -0.015 + 724.624

H3 = 724.609 kJ/mol

2-70
For H2(Bottom)

H2 (liquid phase, 20 C, 5 atm) H2(liquid phase, 30C, 3 atm)

H4a : H2 (liquid phase, 20 C, 5 atm) H2(liquid phase, 30 C, 5 atm)

30
H4a = 20

30
H4a= 20 (28.84 x10-3) + (0.00765x10-5)T + (0.3288x10-8)T2 - (0.8698x10-12)T3

H4a= 0.288 kJ/mol

H4b : H2 (liquid phase, 30 C, 5 atm) H2 (liquid phase, 30 C, 3 atm)

1L (3-5 atm) 2.016 0.008314 kJ mol.K

0 1000 mol mol.K 0.08206 L.atm

H4c = 0 kJ/mol

H4 = H4a + H4b

H4 = 0.288 + 0

H4 = 0.288 kJ/mol

Q = niHi - niHi

Q = 2529546937 - 0

Q = 2529546937 kJ/h

Q = 702651.93 kJ/s

2-71
2.2.4.8 T-104 (Extractive Distillation Column 1)

91 C, 1

atm
90 C, 1 IPA

atm H2O
DMSO
DMSO

87 C, 2

atm
IPA C,
91 1
H2O
atm
H2O
C3H6O
DMSO

C3H6O

Figure 2.20: Energy balance on extractive distillation column 1 (T-104)

Reference state: IPA (liquid phase, 87 C, 2 atm)

H2O (liquid phase, 87 C, 2 atm)

C3H6O (liquid phase, 87 C, 2 atm)

DMSO (liquid phase, 90 C, 1 atm)

2-72
 Table 2.24: Enthalpy table on extractive distillation column 1 (T-104)

Top Top Bottom Bottom

Substance nin(kmol/hr) Hin(kJ/mol) nout(kmol/hr) Hout(kJ/mol) nout(kmol/hr) Hout(kJ/mol)

IPA 6.14 0 6.15 47.7 - 0.464

H2O 239.76 0 0.024 40.956 242.16 0.377

C3H6O 0.00024 0 - 325.184 0.00024 -

DMSO 1.00 0 0.0011 71.776 11.11 100095.899

For IPA (Top)

IPA (liquid phase, 87C, 2 atm) IPA (gas phase, 91C, 1 atm)

H1a : IPA (liquid phase, 87C, 2 atm) IPA (gas phase, 87C, 2 atm)

H1a = v (Tb) IPA

H1a = 44.0 kJ/mol

H1b : IPA (gas phase, 87C, 2 atm) IPA (gas phase, 87C, 1 atm)

H1b =

1L (1-2 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H1b = -0.00786 kJ/mol

2-73
H1c : IPA (gas phase, 87C, 1 atm) IPA (gas phase, 91C, 1 atm)

91
H1c = 87

91
H1c = 87 a + bT + cT2 + dT3

91
H1c = 87 (0.6190) + (2.0213) T + (1.6293)T2 + (1.2956)T3

H1c = 3.708 kJ/mol

H1 = H1a + H1b + H1c

H1 = 44.0 + -0.00786 + 3.708

H1 = 47.7 kJ/mol

For H2O (Top)

H2O (liquid phase, 87C, 2 atm) H2O (gas phase, 91C, 1 atm)

H2a : H2O (liquid phase, 87C, 2 atm) H2O (gas phase, 87C, 2 atm)

H2a = v (Tb) H2O

H2a = 40.656 kJ/mol

H2b : H2O (gas phase, 87C, 2 atm) H2O (gas phase, 87C, 1 atm)

H2b =

1L (1-2 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H2b = -0.00183 kJ/mol

2-74
H2c : H2O (gas phase, 87C, 1 atm) H2O (gas phase, 91C, 1 atm)

91
H2c = 87

91
H2c = 87 75.410-3

H2c = 0.3016 kJ/mol

H2 = H2a + H2b + H2c

H2 = 40.656 + -0.00183 + 0.3016

H2 = 40.956 kJ/mol

For C3H6O (Top)

C3H6O (liquid phase, 87C, 2 atm) C3H6O (gas phase, 91C, 1 atm)

H3a : C3H6O (liquid phase, 87C, 2 atm) C3H6O (gas phase, 87C, 2 atm)

H3a = v (Tb) C3H6O

H3a = 30.2 kJ/mol

H3b : C3H6O (gas phase, 87C, 2 atm) C3H6O (gas phase, 87C, 1 atm)

H3b =

1L (1-2 atm) 58.08 0.008314 kJ mol.K

0.791 1000 mol mol.K 0.08206 L.atm

H3b = -0.00744 kJ/mol

2-75
H3c : C3H6O (gas phase, 87C, 1 atm) C3H6O (gas phase, 91C, 1 atm)

91
H3c = 87

91
H3c = 87 (71.96) + (20.110-3)T - (12.7810-8)T2 - (34.7610-12)T3

H3c = 294.991 kJ/mol

H3 = H3a + H3b + H3c

H3 = 30.2 + -0.00744 + 294.991

H3 = 325.184 kJ/mol

For DMSO (Top)

DMSO (liquid phase, 90 C,1 atm) DMSO (gas phase, 91C, 1 atm)

H4a : DMSO (liquid phase, 90 C, 1atm) DMSO (gas phase, 90C, 1 atm)

H4a = v (Tb) DMSO

H4a = 52.9 kJ/mol

H4b : DMSO (gas phase, 90 C, 1 atm) DMSO (gas phase, 91C, 1 atm)

91
H4b = 90

91
H4b= 90 (0.514810-5)+(1.442x10-5)T+(1.6034x10-3)T2+(0.7747x10-5)T3

H4b= 18.876 kJ/mol

H4 = H4a + H4b

H4 = 52.9 + 18.876

H4 = 71.776 kJ/mol

2-76
For IPA (Bottom)

IPA (liquid phase, 87C, 2 atm) IPA (liquid phase, 91C, 1 atm)

H1a : IPA (liquid phase, 87 C, 2 atm) IPA (liquid phase, 87C, 1 atm)

H1a =

1L (1-2 atm) 60.9 0.008314 kJ mol.K

0.7851 1000 mol mol.K 0.08206 L.atm

H1a = -0.00786 kJ/mol

H1b : IPA (liquid phase, 87 C, 1 atm) IPA (liquid phase, 91C, 1 atm)

91
H1b = 87

91
H1b = 87 (1.5876x105) + (-6.35x102)T + (1.9690)T2

H1b = 0.471 kJ/mol

H1 = H1a + H1b

H1 = -0.00786 + 0.471

H1 = 0.464 kJ/mol

For H2O (Bottom)

H2O (liquid phase, 87C, 2 atm) H2O (liquid phase, 91C, 1 atm)

H2a : H2O (liquid phase, 87 C, 2 atm) H2O (liquid phase, 91C, 1 atm)

2-77
H2a =

1L (1-2 atm) 18.016 0.008314 kJ mol.K

1.0 1000 mol mol.K 0.08206 L.atm

H2a = -0.00183 kJ/mol

H2b : H2O (liquid phase, 87C, 1 atm) H2O (liquid phase, 91C, 1 atm)

91
H2b = 87

91
H2b = 87 (33.4610-3) + (0.68810-3)T + (0.760410-8)T2 - (3.59310-12)T3

H2b = 0.379 kJ/mol

H2 = H2a + H2b

H1 = -0.00183 + 0.379

H1 = 0.377 kJ/mol

For DMSO (Bottom)

DMSO (liquid phase, 90 C, 1 atm) DMSO (liquid phase, 91C, 1 atm)

H3 : DMSO (liquid phase, 90 C, 1 atm) DMSO (liquid phase, 91C, 1 atm)

91
H3 = 90

91
H3= 90 (1.101105)+ (-1.5747x102)T +(5.1853x10-1)T2

H3 = 100095.899 kJ/mol

2-78
 Q = niHi - niHi

Q = 1112451149 kJ/h

Q = 309014.208 kJ/s

2.2.4.9 T-105 (Extractive Distillation Column 2)

81C, 1 atm

H2O

IPA
81 C, 1 atm
DMSO

H2O

IPA

DMSO 81 C, 1

atm
H2 O

H2

DMSO

Figure 2.21: Energy balance on extractive distillation column 2 (T-105)

Reference state: H2O (liquid phase, 81 C, 1 atm)

IPA (liquid phase, 81 C, 1 atm)

DMSO (liquid phase, 81 C, 1 atm)

2-79
 Table 2.25: Energy balance on extractive distillation column 2 (T-105)

Top Top Bottom Bottom

Substance nin(kmol/hr) Hin(kJ/mol) nout(kmol/hr) Hout(kJ/mol) nout(kmol/hr) Hout(kJ/mol)

H2O 242.16 0 239.74 40.656 2.42 -

C3H6O 0.00024 0 0.00024 44.0 2.5x10-6 -

DMSO 11.11 0 1.11 52.9 9.99 -

For H2O (Top)

H2O (liquid phase, 81 C, 1 atm) H2O (gas phase, 81C, 1 atm)

H1 = v (Tb) H2O

H1 = 40.656 kJ/mol

For IPA (Top)

IPA (liquid phase, 81 C,1 atm) IPA (gas phase, 81C, 1 atm)

H2 = v (Tb) IPA

H2 = 44.0 kJ/mol

2-80
For DMSO (Top)

DMSO (liquid phase, 81 C, 1 atm) DMSO (gas phase, 81C, 1 atm)

H3 = v (Tb)DMSO

H3 = 52.9 kJ/mol

Q = niHi - niHi

Q = 9805599 kJ/h

Q = 2723.778 KJ/s

2-81
2.2.5 Conclusion

The function of Aspen simulation is to automatically calculate the mass balance and
energy balance for the purposed plant. Aspen simulation is taken as a guide for manual
calculation of the energy balance. Based from the Aspen simulation, the value of
energy balance calculated from the simulation is different compared to manually
calculated energy balance.Table 2.26 below shows the energy balace calculated for
each equipment proposed for this plant.

Table 2.26: Energy balance for each equipment

Equipment Q (kJ/s)

E-101 (Vapouriser) 5961.464

C-101 (Vapour Compressor) 340049471.1

R-101 (Reactor) -5769.11

E-102 (Reactor Effluent Condenser) 2767.731

T-101 (Flash Distillation 1) -364.33

E-103 (Cooler) -541.945

T-102 (Distillation Column) 702651.93

T-103 (Extractive Distillation Column 1) 702651.93

T-104 (Extractive Distillation Column 2) 309014.208

T-105 (Extractive Distillation Column 2) 2723.778

2-82
2.3 PROCESS SIMULATION

Chapter 1
2.3.1 Overview of Aspen Plus Simulation

AspenONE is developed by Aspen Tech Inc. usually used in industry for

integrating simulation software. This software is implemented as a best practice
especially for process design and modelling, optimization engineering, production
management, supply chain operation and also advanced process control. Furthermore,
Aspen Plus V8.8 can be employed for mass and energy balances, physical chemistry,
chemical engineering thermodynamics, chemical reaction engineering, unit operations,
process design and also process control. The development of this technology helps the
user to specify main process input such as chemical components used, thermodynamic
models, feed condition, operating conditions and process flowsheet design.

2.3.2 Process Simulation Description

The objective of this project is to design an economic acetone chemical plant for
a minimum production rate of 100 000 metric tonnes acetone from isopropanol (IPA)
annually. Feed of IPA is introduced in liquid phase and will undergoes vapourization
process to convert the liquid feed into vapour phase. The vapour phase reaction is
carried out with the present of nickel catalyst in the reactor. The process produced
endothermic reaction and the reaction generally conducted at 350C temperature and 1
atm pressure. The reaction will produce acetone (ACETONE) and by-product hydrogen
(H2). In some instances, dimethyl sulfoxide (DMSO) are introduced at the distillation
column 2 (T-105) as a solvent for separation of azeotropic mixture of IPA and water.

Basically, operation target is 212.25 kmol per hour of acetone in order to

achieve 100 000 metric tonnes per year of acetone with the purity of 98%. In
developing process simulation, the process flowsheet is developed based on the
process flow diagram (PFD) which has been completed in previous chapter. Diagram
2.22 shows the process flowsheet design in Aspen Plus V8.8.

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 Figure 2.22: Main process flowsheet design

Generally, the process involved one reactor block which is plug flow reactor
(PFR), numbers of phase separator block such as a flash separator, an absorber and
three distillation columns. It also involves another unit operation such as a compressor,
two mixers, a splitter, a heat exchanger, nine pumps and also a heater and two cooler.
All that equipment need to consider in process simulation since they involve feed and
operating condition that could affect mass and energy balance for overall process.
Table 2.27 explains the function of each block design involved in this process
simulation.

Table 2.27: Block design and their description

Block Design Description

Mixer 1 (M-101) To mix IPA feed with the IPA recycle before enter reactor, R-101

Mixer 2 (M-102) To mix recycled H2O with H2O feed before enter absorber, T-102

Heater 1 (E-101) To increase the temperature of IPA from 25OC to 300OC and
change liquid to vapour phase before it enters reactor, R-101

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Cooler 1 (E-103) To reduce the temperature of H2O-DMSO mixture to 81OC before
the mixture enter distillation column 3, T-105

Cooler 2 (E-104) To reduce the temperature of recycled IPA to 50OC and change
vapour to liquid phase before it enters the mixer, M-101

Heat exchanger To reduce the temperature of reactor outlet mixture from 465OC to
(E-103) 78OC before it enters the flash separator, T-101
To increase the temperature of flash separator outlet mixture from
20OC to 190OC before it enters distillation column 1, T-103
Pump 1 (P-101) To pressurize the flow from IPAFEED stream into the mixer, M-101
Pump 2 (P-102) To pressurize the flow from stream 2 into the heater, E-101
Pump 3 (P-103) To pressurize the flow from FCOUT stream into distillation column
1,
T-103
Pump 4 (P-104) To pressurize the flow from stream 9 into distillation column 2, T-
104
Pump 5 (P-105) To pressurize the flow from stream 11 into cooler 1, E-103
Pump 6 (P-106) To pressurize the flow from stream 19 into distillation column 2,
E-104
Pump 7 (P-107) To pressurize the flow from stream RE-H2O into mixer 2, M-102
Pump 8 (P-108) To pressurize the flow from stream WATER into mixer 2, M-102
Pump 9 (P-109) To pressurize the flow from stream 17 into mixer 1, M-101
Compressor To increase the pressure of reactor, R-101 outlet mixture from 1
(C-101) atm to 3 atm before the mixture enter heat exchanger, E-102
Flash separator To separate 99.9% (split fraction) of hydrogen from mixture of IPA,
(T-101) acetone, water and DMSO
Absorber (T-102) To separate 99.9% (split fraction) of hydrogen from remaining
mixture of IPA, acetone, water and DMSO in order to get 96% purity
of hydrogen
Reactor (R-101) IPA reacts with nickel catalyst inside the reactor at 350OC and 1
atm to produce water, hydrogen and acetone
Distillation To separate acetone from the mixture of IPA and water
column 1 (T-103)
Distillation To separate azeotrope mixture of IPA and water by introducing

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column 2 (T-104) dimethyl sulfoxide (DMSO) as an entrainer, while IPA flow out as
top product and recycle back to mixer 1, M-101
Distillation To separate the mixture of DMSO and water, as DMSO recycle
column 3 (T-105) back to distillation column 2, T-104 while water flow out as top
product

An azeotrope is referred to a mixture of two or more liquids whose proportions

cannot be altered by simple distillation (Moore and Walter J., 2002). This happens
because when an azeotrope mixture is boiled, the vapour has the same proportions of
constituents as the unboiled mixture. It also refers as a constant boiling point since the
composition of the mixture is unchanged by normal distillation. Hence, the development
of azeotropic distillation techniques is used to break an azeotrope mixture in distillation
(Kister and Henry Z., 2007). This technique usually refers to the specific method of
adding another component to generate a new lower-boiling azeotrope that is
heterogeneous, which producing immiscible liquid phases. In some senses, adding an
entrainer is similar to extractive distillation.

Basically, extractive distillation is carried in a two-feed distillation column, which

is T-104 and T-105, with the presence of dimethyl sulfoxide (DMSO) as an entrainer.
The purpose of the DMSO in this extractive distillation column is to alter the relative
volatility between IPA and water, making IPA go to the top of the column and water go
to the bottom of the column (William L. et. al., 2010). The IPA is separated from water
at distillation column 1, T-104 flowing out as top product. The mixture of entrainer and
water are moving to distillation column 2, T-105. The pure entrainer is recovered as
bottom product of T-105 and recycle back into T-104. Water component is discharged
as a top product of T-105.

In some instances, entrainer selection is the key step for the extractive
distillation technique. Thermodynamic criterion used for the selection establishes the
connection between the difference in excess Gibbs energy values (G) in binary
systems between component of original mixture with the entrainer and values of
relative volatility under separation conditions. Hence, the relative volatility of original
mixture compounds in the presence of entrainer is sufficient for extractive effect (A. Y.

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Sazonova and V. M. Raeva., 2015). Dimethyl sulfoxide is suggested as one of the best
entrainer for extractive distillation due to its miscible, non-volatile and has high boiling
point of 194.4oC.

2.3.3 Basic Blocks Design

Basic blocks are the draft blocks where the expected result is obtained for the
project. The basic blocks are included mixer, separator (sep), separator 2 (sep2), and
reactor (rstoic). Basic blocks are not limited to material balance but only for the
calculations of stream splitter, mixer and simple separator blocks. The rstoic is for the
reaction which depend on percent conversion needed by developer. Figure 2.23 below
is the basic block that create once the process, conversion and suitable units are
identified.

Figure 2.23: Basic block design

2.3.3.1 RStoic (RC1) Block

The reactor temperature and pressure is set as 250C and 14.7 psia. The conversion is
decided as 95% of IPA to acetone.

The purpose of this stoichiometric block is to specify reaction extent or conversion. It is

used when the kinetics are unknown but either stoichiometric and extent are known.

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2.3.3.2 Separator (PS1) Block

At PS1, the target is to extract 99% of hydrogen gas. The split fraction used are 0.13 of
IPA, 0.1 of acetone, 0.03 of water, 0.99935 hydrogen and 0 of dimethyl sulfoxide for
stream S5.

2.3.3.3 Separator 2 (DC1) Block

At DC1, the target is to extract 98% of acetone. The split fraction used are 0.02 of IPA,
0.98 of acetone, 0.02 of water, 0.01 of hydrogen and 0 of dimethyl sulfoxide at stream
S7.

2.3.3.4 Separator 2 (DC2) Block

At DC2, the target is to extract and recycle 98% of isopropyl alcohol. The split fraction
used are 0.98 of IPA, 0 of acetone, 0.02 of water, 0 of hydrogen and 0.02 of dimethyl
sulfoxide at stream S9.

2.3.3.5 Separator 2 (DC3) Block

At DC2, the target is to extract and remove 99.9% of water and to recycle 98% of
dimethyl sulfoxide. The split fraction used are 0 of IPA, 0 of acetone, 0.01 of water, 0 of
hydrogen and 0.98 of dimethyl sulfoxide at stream S12.

When the basic block is completed, the rigorous unit block need to be identified to
replace the basic block but the result for the operation should not have too much
different.

2.3.4 Rigorous Block Design

Rigorous blocks are different compared with basic blocks. Basic blocks such
has been discuss earlier are only for the calculations of stream splitter and separated
blocks. In some instances, rigorous blocks are operating by involving more accurate
calculation such as pressure drops, temperature drops, reflux ratio, constant k value,

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number of trays, feed trays and target composition that must be known first. The
composition at certain stream can be same or almost same with the basic block but the
condition may totally different. Some stream result may be impossible to get as the
stream in basic block. The rigorous blocks involved in this process are plug flow reactor
(PFR), flash, radfrac and heatX. This blocks have their own specification that need to fill
before it can successfully run. The steps required to make the simulation success are
shown below.

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Figure 2.24: Rigorous block design

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2.3.4.1 The Physical Property Methods

The selection of physical properties models is vital in conducting this simulation.

Property methods are a collection of models and method used to describe pure
component and mixture behaviour. Choosing the right physical properties is critical for
obtaining reliable simulation results. Basically, physical property models are involved
the ideal, equation of state (EOS) models, activity coefficient models and also special
models. The choice of model types is depending on degree of non-ideal behaviour and
operating condition. Table 2.28 and 2.29 describe the comparison between ideal, EOS
models and activity coefficient models.

Table 2.28: Comparison between models

Ideal EOS Models Activity Coefficient

Models
Use for ideal behaviour Limited in ability to Can represent highly non-
such as system at vacuum represent non-ideal liquids ideal liquid
pressure
Appropriate range is only at Fewer binary parameters Many binary parameters
low pressure and low liquid required required
mole fraction
- Parameters extrapolate Binary parameters are
reasonably with highly temperature
temperature dependent
- Consistent in critical region Inconsistent in critical
region

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 Table 2.29: Common property method for different models

Ideal EOS Models Activity Coefficient

Moldes
IDEAL PENG-ROB NRTL
SYSOP RK-SOAVE UNIFAC
UNIQUAC
WILSON

In this process, the component involved which are IPA, water, hydrogen,
acetone and DMSO are considered non-ideal due to their polar behaviour. Therefore,
activity coefficient model is more favourable. In this simulation, UNIQUAC method is
selected since it is recommended for highly non-ideal chemical systems, and can be
used usually for VLE and LLE applications.It has been stated that UNIQUAC can
operate for polar component at pressure less than 10 bar (9.869 atm) and can operate
for both liquid-liquid and liquid-vapour component. Since the maximum pressure
involved in this simulation is 5 atm and both liquid-liquid and liquid-vapour are involved,
hence, UNIQUAC is more suitable method to be implemented.

2.3.4.1.1 Set up of simulation

The components specification is filled for every component

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The method UNIQUAC is selected

The units are set such as follow

2.3.4.1.2 IPAFEED Stream

The feed stream operates at 25OC and 1 atm with 217.562 kmol/hr of IPA and 84.6
kmol/h of acetone

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2.3.4.1.3 DMSO Stream

The DMSO stream operates at 90OC and 1 atm with 1 kmol/hr of DMSO.

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2.3.4.1.4 Mixer 1 (M-101)

The function of mixer is just to mix the IPA feed with the recycle IPA. Hence, it just
requires input pressure.

The mixer 1 block is set for 1 atm and phase valid for liquid only

2.3.4.1.5 Pump 1 (P-101)

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The function of pump is just to pressurize and transfer flow from IPAFEED stream into
the heater 1.

The pump is set as 1 atm where it is only function to pressurize and transfer the flow

2.3.4.1.6 Heater 1 (E-101)

The function of the heater is to increase the temperature of IPA feed from 25OC to
350OC and change phase from liquid to vapour before entering the reactor, R-101.

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Specify the heater at 300OC and 1 atm

2.3.4.1.7 Heat Exchanger (E-102)

Heat exchanger is designed by using basic block of heater and cooler before convert
into rigorous heatX block.

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Basic block of heatX is design by using a heater and a cooler by specify the desire
temperature for each FHOUT, FHIN, FCIN and FCOUT stream as shown below.

The FCIN stream is specified at 20OC and 5 atm with the mole flow of each component
is extracted from the result stream

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The FCIN stream is specified at 463.998OC and 3 atm with the mole flow of each
component is extracted from the result stream

The COOLER block is specified at 60OC and 3 atm

2-98
The HEATER block is specified at 5 atm

HeatX is developed by specify the hot stream outlet temperature as 60OC for the design
calculation mode

2-99
Specify the constant U value for U methods

Actual exchanger area and UA value from result summary of design heatX will be used
for simulation heatX

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Insert either new UA value and exchanger area and change to simulation mode. Next,
compare both answer and it must be same. Then, combine the heatX into the complete
design.

2.3.4.1.8 Reactor (R-101)

The reactor is simulated by using plug flow reactor (PFR) and have been design by
using basic block before convert into rigorous PFR block.

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The basic block of reactor has been simulated by using both RStoic and RCSTR. This
step is performed by insert the k value and to find the reactor volume. Design spec also
have been performed to get the optimum reactor volume.

Set the PBR temperature and its optimum operating temperature at 350C

2-102
The phase valid as vapor and information of tube are as follows by referring the length
and diameter from the journal [3]

The reactor operates under 1 atm pressure

2-103
The reaction in reactor is set as R-1

The reaction R-1 is identified as below

2-104
Specify the catalyst loading and also bed voidage by referring the journal [3]

2.3.4.1.9 Compressor (C-101)

The function of compressor is to increase the pressure of reactor, R-101 outlet mixture
from 1 atm to 3 atm before the mixture enter heat exchanger, E-102

2-105
The compressor is set as positive displacement type and its function is to increase
pressure in stream from 1 atm to 3 atm

2.3.4.1.10 Cooler 2 (E-104)

The cooler function is to reduce temperature from 91OC to 50OC. Hence, its
temperature is specified as 60OC and pressure 3 atm.

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2.3.4.1.11 Flash Separator (T-101)

Flash operates as a separator to separate hydrogen from mixture of IPA, water,

hydrogen and DMSO. Flash is designed by using FLASH2 block from the basic block of
SEP2 in order to get optimum operating temperature and pressure.

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Basic block of SEP2 involving one feed stream and two outlet streams where hydrogen
will flow out at top and remaining mixture of acetone, water and DMSO will flowing out
at bottom. The set up of SEP2 are as follow.

Specify the feed stream at 20OC and 5 atm with mole flow rate extracted from stream
result of basic block

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Specify the block at 30OC and 1 atm

Stream 2 contains high composition of acetone together with the hydrogen. Hence,
acetone composition must be reduced. Sensitivity (S-1) is performed by varying
temperature and pressure to get the optimum operating condition in order to get
maximum conversion of hydrogen at stream 2.

Varying the pressure between the range 5 to 30 atm for variable 1.

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Varying the temperature between the range 1 to 30OC for variable 2.

Define the acetone at S2 stream

2-110
Define the hydrogen at S2 stream

The result shows the optimum operating condition are 20OC and 5 atm with the least
acetone is at 8.80795 kmol/hr and maximum hydrogen is at 216.067 kmol/hr

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Hence, FLASH2 is set up by insert the operating condition of 20OC and 5 atm.

2.3.4.1.12 Absorber (T-102)

The function of absorber is to separate hydrogen from remaining mixture of IPA,

acetone, water and DMSO in order to get high purity of hydrogen. Feed stream 16
contains feed water and stream 7 contains flash outlet mixture. The rigorous absorber
has used RadFrac block.

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The number of stage required for absorber is 9.

In order to get the great recovery of hydrogen, feed water is introduced from top of the
column which is stage 9 (on-stage) while the mixture of hydrogen and acetone is
introduced from the bottom of the column which is stage 1 (on-stage). 99.99% of
hydrogen recovery can be achieved here.

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The condenser pressure is set 2 atm while the column pressure drop is set 1 atm to
allow the movement of the vapour mixture.

2.3.4.1.13 Distillation Column 1 (T-103)

The function of DC1 is to separate main product acetone from mixture of water, IPA
and DMSO. Stream 8 is the outlet from absorber and stream 6 is the outlet from
reactor. The RadFrac is used for rigorous distillation column by designing DSTWU
block first.

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DSTWU block is designed to estimate the number of stages, feed stages and also
reflux ratio and distillate to feed ratio. That information will be used in designing
RadFrac later. The set up of DSTWU as follows.

Specify the temperature, pressure and mole flow of each component extracted from the
basic block result.

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Acetone recovery is set as 99% in order to get a great acetone recovery while the
remaining 1% is set as IPA recovery. The condenser pressure is set 3 atm while
reboiler pressure is set 5 atm.

The result from DSTWU such as number of actual stage, minimum reflux ratio, distillate
to feed fraction will be used in designing RadFrac later.

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Those results are extracted from DSTWU to use in designing RadFrac. However, there
are some errors while combining the RadFrac into the complete design and the
simulation cant be run accordingly. Hence, adjustment on number of stages, reflux
ratio and distillate to feed ratio have been made in order to converge the simulation and
also, to get the 98% purity of main product acetone.

In order to get the great recovery of acetone, feed mixture are introduce at stage 22
and 23, both of them operates as on-stages. 98% of acetone purity can be achieved
here.

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The condenser pressure is set 1 atm.

2.3.4.1.14 Distillation Column 2 (T-104)

The function of distillation column 2 is to separate azeotropic mixture of IPA and water
by introducing DMSO as an entrainer or solvent. Stream 10 contains the mixture of IPA,
water and DMSO and stream 20 contains recycle DMSO. Recycle IPA with flow as top
product and remaining mixture of water and DMSO will flow out through stream 11.

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Distillation column 2 just use SEP2 block and therefore, split fraction for each
component is needed.

In order to get high recovery of IPA, split fraction is set 1 while water and DMSO is set
0.0001 at stream RE-IPA.

2.3.4.1.15 Distillation Column 3 (T-105)

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The function of distillation column 3 is to separate the mixture of DMSO, water and
acetone. Stream 13 contains the mixture of water while recycle DMSO with flow as
bottom product through stream 19 and remaining will flow out through stream H2O.

Distillation column 3 just use SEP2 block and therefore, split fraction for each
component is needed.

In order to get high recovery of recycle DMSO, split fraction is set 0.9 while water and
acetone is set 0.01 at stream 19.

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2.3.5 Stream Result

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2.3.6 Conclusion

Based on the stream result, acetone produce in stream ACETONE is 214.1231

kmol/hr which is exceeding the production target 212.25 kmol/hr. Therefore, 100 000
metric tonnes/year of acetone can be achieved. The purity of the acetone produced is
98.3% which also meet the specification based on the target market. The by-product
hydrogen produced in stream H2 is 216.0295 kmol/hr with the purity of 96%. Hence,
great quality of hydrogen can be sold to the target market or can be used for other
purposed. Furthermore, water with 99.5% purity in stream RE-H2O is recycle back into
absorber, T-102 which can save a lot cost on feed water needed. Same goes to IPA
with 99.6% purity in stream RE-IPA is recycled back and mix with feed IPA can also
reduce the raw material cost.

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References

[1] A. E. A. Said, M. M. M. A. El-wahab, and M. N. Goda, Selective synthesis of

acetone from isopropyl alcohol over active and stable CuO NiO
nanocomposites at relatively low-temperature, Egypt. J. Basic Appl. Sci., 2016.

[2] B. A. Danzomo, M. E. Salami, S. Jibrin, and I. M. Nor, Performance Evaluation

of wet scrubber system for industrial air pollution control, ARPN J. Eng. Appl.
Sci., vol. 7, no. 12, pp. 16691677, 2012.

[3] University of Massachusetts Amherst, Distillation, pp. 113, 2014.

[4] S. Arifin and I. L. Chien, Design and control of an isopropyl alcohol dehydration
process via extractive distillation using dimethyl sulfoxide as an entrainer, Ind.
Eng. Chem. Res., vol. 47, no. 3, pp. 790803, 2008.

[5] P. Report and P. K. Bala, Steady state simulation of Extractive Distillation

system using Aspen Plus Department of Chemical Engineering National Institute
of Technology Rourkela, no. May, 2015.CH

[7] Richard M. Felder & Ronald Rousseau, (2005), Elementary Principle of Chemical
Process,Wiley, Third Edition.

[8] Perry, R. H., & Green, D. W. (2008). Perry's chemical engineers' handbook. New
York: McGraw-Hill.

[9] Moore, Walter J. (2002). Physical Chemistry (3rd Ed.). Prentice-Hall, pp. 140
142

[10] Kister, Henry Z. (2007). Distillation Design (1st ed.). McGraw-Hill. pp 70-75

[11] William L, L. Luyben, L. Chien. (2010). Design and Control of Distillation

Systems for Separating Azeotropes. John Wiley & Sons, Inc. pp 299-325

[12] A. Y. Sazonova and V. M. Raeva. (2015). Recovery of Acetonitrile from

Aqueous Solutions by Extractive DistillationEffect of Entrainer. International
Journal of Chemical, Molecular, Nuclear, Materials and Metallurgical
Engineering. Vol 9(2). pp 288-291

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Appendix

Table B.2 Heat Capacities (Richard M. Felder & Ronald Rousseau, (2005),
Elementary Principle of Chemical Process)

Compound Mol.Wt State ax103 bx105 cx105 dx1012

Acetone 58.08 l 123 18.16 - -

g 71.96 20.10 -12.78 34.76

Hydrogen 2.016 g 28.84 0.00765 0.3288 -0.8698

Water 18.016 l 75.4 - - -

g 33.46 0.6880 0.7604 -3.593

Compound Mol.Wt State a b c d

IPA 60.9 l 1.5876x105 -6.35x102 1.9690 -

g 0.6190 2.0213 1.6293 1.2956

DMSO 2.016 l 1.101x105 -1.577x102 5.1853x10- -

1

g 0.5148 1.442 x10- 1.603 x10-3 0.7747

x105 5
x10-5

PTER7

2-124
Appendix

2-125
 IPAFEED 1 2 3 4 5 FHIN FHOUT FCIN FCOUT 6 7 WATER 15 16 H2 8 ACETONE 9 10 DMSO 20 RE-IPA 11 12 13 19 H2O 21 RE-H20 14 17 18

Substream: MIXED
Mole Flow kmol/hr
IPA 217.562 217.562 223.7104 223.7104 223.701 7.388912 7.388912 7.388912 7.308552 7.308552 7.308552 0.0810568 0 0 0 0.000242204 0.0808146 1.242506 6.148374 6.148374 0 0 6.155661 0 0 0 0 0 0 0 0 6.155661 6.155661
ACETONE 0 0 0 0 0 216.312 216.312 216.312 207.2427 207.2427 207.2427 9.069404 0 0 2.47E-05 2.188794 6.880635 214.1231 0.000247366 0.000247366 0 2.50E-06 0 0.00024961 0.00024961 0.00024961 2.50E-06 0.000247114 0.000222403 2.47E-05 2.47E-05 0 0
H2O 84.6 84.6 84.62422 84.62422 84.62422 84.62422 84.62422 84.62422 84.06555 84.06555 84.06555 0.5586704 140 140 163.9744 6.671419 157.8617 2.163416 239.7663 239.7663 0 2.421641 0.0242185 242.1641 242.1641 242.1641 2.421641 239.7424 215.7682 23.97424 23.97424 0.0242185 0.0242185
H2 0 0 0 0 0 216.312 216.312 216.312 0.2376349 0.2376349 0.2376349 216.0744 0 0 0 216.0295 0.0448868 0.2825288 1.24E-36 1.24E-36 0 0 0 0 0 0 0 0 0 0 0 0 0
DMSO 0 0 0.00111121 0.00111121 0.00111121 0.00111121 0.00111121 0.00111121 0.00111121 0.00111121 0.00111121 5.42E-09 0 0 0.1111103 7.03E-06 0.1111033 7.38E-50 0.1122145 0.1122145 1 9.99993 0.00111121 11.11103 11.11103 11.11103 9.99993 1.111103 0.999993 0.1111103 0.1111103 0.00111121 0.00111121
Total Flow kmol/hr 302.162 302.162 308.3357 308.3357 308.3263 524.6383 524.6383 524.6383 298.8555 298.8555 298.8555 225.7835 140 140 164.0856 224.89 164.9791 217.8116 246.0272 246.0272 1 12.42157 6.180991 253.2754 253.2754 253.2754 12.42157 240.8538 216.7684 24.08538 24.08538 6.180991 6.180991
Total Flow kg/hr 14598.68 14598.68 14968.7 14968.7 14968.13 14968.13 14968.13 14968.13 13990.91 13990.91 13990.91 977.2672 2522.139 2522.139 2962.728 682.8174 3257.178 12550.49 4697.732 4697.732 78.13504 824.9716 370.4532 5230.829 5230.829 5230.829 824.9716 4405.858 3965.272 440.5858 440.5858 370.4532 370.4532
Total Flow cum/hr 17.92384 17.92384 18.40199 18.40199 14500.61 26826.45 10603.44 4477.019 17.24911 2276.434 34.17562 1086.233 2.537473 2.537473 3.005777 2855.277 3.407629 5888.329 5.157206 5.157674 0.0757326 0.808187 184.8183 5.640873 5.640926 5.576478 0.808187 4.697395 4.227655 0.4697395 0.4697395 0.485507 0.485507
Temperature C 25 25 25.46951 25.46951 300 350 465.7699 78.05375 20 190.9945 232.8263 20 25 25 33.51621 36.30493 30.81252 56.3083 87.72571 87.8019 90 81 91.24813 91.24813 91.25641 81 81 81 81 81 81 50 50
Pressure atm 1 1 1 1 1 1 3 3 5 5 5 5 3 3 3 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1
Vapor Frac 0 0 0 0 1 1 1 0.8877627 0 1 0 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
Liquid Frac 1 1 1 1 0 0 0 0.1122373 1 0 1 0 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1
Solid Frac 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
Enthalpy J/kmol -309950000 -309950000 -310020000 -310020000 -237470000 -111910000 -103260000 -132470000 -263280000 -212000000 -212000000 -9513400 -285800000 -285800000 -285130000 -8940800 -284410000 -213600000 -281600000 -281590000 -193970000 -213210000 -265570000 -277600000 -277600000 -278470000 -213210000 -281200000 -281200000 -281200000 -281200000 -313430000 -313430000
Enthalpy J/kg -6415300 -6415300 -6386000 -6386000 -4891600 -3922400 -3619200 -4643200 -5623900 -4528400 -4528400 -2197900 -15864000 -15864000 -15791000 -2944700 -14406000 -3707000 -14748000 -14748000 -2482500 -3210200 -4430900 -13441000 -13441000 -13484000 -3210200 -15372000 -15372000 -15372000 -15372000 -5229600 -5229600
Enthalpy Watt -26015000 -26015000 -26553000 -26553000 -20338000 -16309000 -15048000 -19305000 -21857000 -17599000 -17599000 -596660 -11114000 -11114000 -12996000 -558530 -13034000 -12923000 -19245000 -19244000 -53879.88 -735650 -455960 -19530000 -19530000 -19592000 -735650 -18814000 -16932000 -1881400 -1881400 -538140 -538140
Entropy J/kmol-K -374110 -374110 -375370 -375370 -182040 -47737.14 -44154.23 -102180 -282550 -145390 -158140 -21231.54 -163140 -163140 -161160 -6525.584 -169750 -206140 -155060 -155050 -320830 -287940 -304340 -155290 -155280 -157690 -287940 -150790 -150790 -150790 -150790 -439700 -439700
Entropy J/kg-K -7743.227 -7743.227 -7732.122 -7732.122 -3749.898 -1673.204 -1547.622 -3581.352 -6035.524 -3105.632 -3377.949 -4905.242 -9055.611 -9055.611 -8925.726 -2149.24 -8598.166 -3577.51 -8120.952 -8119.993 -4106.049 -4335.485 -5077.953 -7518.89 -7518.804 -7635.197 -4335.485 -8243.339 -8243.339 -8243.339 -8243.339 -7336.441 -7336.441
Density kmol/cum 16.8581 16.8581 16.75556 16.75556 0.0212629 0.0195567 0.0494781 0.1171847 17.32586 0.1312823 8.744698 0.2078593 55.173 55.173 54.59005 0.0787629 48.41463 0.0369903 47.70551 47.70119 13.20434 15.36968 0.0334436 44.90003 44.8996 45.41851 15.36968 51.27391 51.27391 51.27391 51.27391 12.731 12.731
Density kg/cum 814.4839 814.4839 813.4281 813.4281 1.032241 0.5579616 1.41163 3.343325 811.1091 6.145975 409.3826 0.8996851 993.957 993.957 985.6778 0.2391423 955.8486 2.131419 910.9064 910.8238 1031.721 1020.768 2.004419 927.3084 927.2997 938.0166 1020.768 937.9364 937.9364 937.9364 937.9364 763.0234 763.0234
Average MW 48.31409 48.31409 48.54675 48.54675 48.5464 28.53038 28.53038 28.53038 46.81495 46.81495 46.81495 4.328337 18.01528 18.01528 18.056 3.036229 19.74297 57.62087 19.09436 19.09436 78.13504 66.41442 59.93428 20.65274 20.65274 20.65274 66.41442 18.29266 18.29266 18.29266 18.29266 59.93428 59.93428
Liq Vol 60F cum/hr 18.13149 18.13149 18.60126 18.60126 18.60054 29.68294 29.68294 29.68294 17.42315 17.42315 17.42315 12.25984 2.527 2.527 2.96766 11.85247 3.375035 15.99331 4.805046 4.805046 0.071277 0.7564758 0.4703201 5.163041 5.163041 5.163041 0.7564758 4.406566 3.965909 0.4406565 0.4406565 0.4703201 0.4703201

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