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USC Chemical Engineering Student

Process Equipment Design 2017

D e p a r t m e n t o f FORM 1-4-Calculation Sheets


Chemical Engineering
Talamban, Cebu City, Philippines 6000 Heat Exchanger Duties

DESIGNER(S): CHUA, MARY ANTOINETTE G.


GOLLEM, BABE EDEN JOY O.
MALINAO, HUGH LAMBERT L.
MERCADO, ARMEL JAY P.

Equipment Tag: R-02


Equipment Description: Packed Bed Reactor
Calculation Sheet No: 1

DESIGN MANUALS OR TECHNICAL REFERENCES

[1] J.M. Smith, H.C. Van Ness and M.M. Abbott, Introduction to Chemical Engineering Thermodynamics, 7th edn.

[2] Eugene S. Domalski and Jr Vlastimil Ruzicka, ‘Estimation of the Heat Capacities of Organic Liquids as a Function of
Temperature Using Group Additivity. II. Compounds of Carbon, Hydrogen, Halogens, Nitrogen, Oxygen, and Sulfur’,
JPCRD, 22.3 (1993), 619–57.

[3] Bruce E. Poling and others, ‘Physical and Chemical Data’, in Perry’s Chemical Engineer’s Handbook (McGraw-Hill
eBooks, 2008).

[4] Elizabeth D. Hearing and Eugene S. Domalski, ‘Estimation of the Thermodynamic Properties of C-H-N-O-S-
Halogen Compounds’, Journal of Physical Chemistry Reference Data, 22.4 (1993), 805.

[5]Calculation Sheet No 4: Design Balances

DESCRIPTION

Using the energy balance, the heat supplied by the heat exchanger is calculated. This will allow the reactor to operate
at the desired temperature optimum for the reaction. Estimation of heat capacities and heat of formation at standard
states involves the use of Ruzicka-Domalski and Domalski-Hearing method of correlation of thermodynamic properties,
respectively.

ASSUMPTION(S)/BASIS
1. Liquid heat capacity can be estimated by the summation of the individual group [1]
contribution for organic compounds.
2. The triglyceride of the rice bran oil is composed of triolein.
3. Potential energy, kinetic energy and work is negligible in the system.
4. The standard enthalpy (heat) of formation is the enthalpy change upon formation of 1 mol [3] [2]
of the compound in its standard state from its constituent elements in their standard states.
Therefore, estimation of thermal properties from group contributions in organic compound
is applicable.
NOMENCLATURE(S)

Symbol or Notation Description


(Please use “Equation tool” in MS Word)
𝐸 Total energy
̂ ̅
𝑈, 𝑈 Specific Internal Energy, Molar Internal Energy
∆𝑃 Pressure drop
𝜌 Density
𝑣 velocity
𝑔 Acceleration due to gravity
∆ℎ Change in height
𝐸𝑛𝑒𝑟𝑔𝑦
𝑄̇ Heat = [ 𝑡𝑖𝑚𝑒 ]
𝑚̇ Mass flowrate
𝑛̇ Molar flowrate
̂, 𝐻
𝐻 Specific enthalpy, Molar enthalpy
𝑛𝑖 Moles of component i
𝑛𝑔,𝑖 Number of occurrences of group i
𝑛𝑟,𝑖 , 𝑛𝑝,𝑖 Moles of reactant i, moles of product i
𝐶𝑝 Heat Capacity
〈𝐶𝑝 〉𝐻 Mean heat capacity
𝑇, 𝑇𝑜 Final temperature, Initial temperature
𝑅 Ideal gas constant equal to 8.3143 J/molK
Temperature coefficients for the evaluation of the
𝐴, 𝐵, 𝐷
sensible heat integral
Individual group contributions for the temperature
𝑎𝑖 , 𝑏𝑖 , 𝑑𝑖
coefficients
∆𝐻°𝑟𝑥𝑛 Heat of reaction at standard condition
∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 Sensible Heat
INFORMATION FLOW DIAGRAM

𝑛𝑔,𝑖 𝑎𝑖 , 𝑏𝑖 , 𝑑𝑖 𝑛𝑔,𝑖 ൫∆𝐻𝑓° ൯


𝑖

𝐴 = ෍ 𝑛𝑔,𝑖 𝑎𝑖 ∆𝐻𝑓° = ෍ 𝑛𝑔,𝑖 ൫∆𝐻𝑓° ൯


𝑖

𝐵 = ෍ 𝑛𝑔,𝑖 𝑏𝑖 °
∆𝐻𝑓,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠
𝑛𝑟,𝑖 , 𝑛𝑝,𝑖 °
∆𝐻𝑓,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠
𝐷 = ෍ 𝑛𝑔,𝑖 𝑑𝑖
∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ
𝐴, 𝐵, 𝐷 𝑅
= ෍ 𝑛𝑟,𝑖 ∆𝐻°𝑓,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠
〈𝐶𝑝 〉𝐻 𝐵 𝐷 − ෍ 𝑛𝑝,𝑖 ∆𝐻°𝑓,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠
=𝐴+ 𝑇𝑜 ሺ𝜏 + 1ሻ + 𝑇 2 ሺ𝜏 2 + 𝜏 + 1ሻ
𝑅 100 3ሺ100ሻ2 𝑜

〈𝐶𝑝 〉𝐻 𝑇, 𝑇0

∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ, ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ25°𝐶 → 60°𝐶ሻ


∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ
= ෍ 𝑛𝑟,𝑖 〈𝐶𝑝 〉𝐻 ሾ𝑇 − 𝑇𝑜 ሿ, ෍ 𝑛𝑝,𝑖 〈𝐶𝑝 〉𝐻 ሾ𝑇 − 𝑇𝑜 ሿ

∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ25°𝐶 → 60°𝐶ሻ

∆𝐻 = ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 ሺ60°𝐶 → 25°𝐶ሻ + ∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ + ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 ሺ25°𝐶 → 60°𝐶ሻ

∆𝐻
𝑛̇
̇
∆𝐻𝑟𝑥𝑛 ሺ60°𝐶ሻ
= 𝑛̇ ∆𝐻
̇
∆𝐻
SYSTEM SKETCH

Inlet Stream
Triglyceride TG
4, 068.41
(kg/h)
Free Fatty Acid
30.93 Outlet Stream
FFA (kg/h)
Water (kg/h) 47.83 Triglyceride TG
81.46
(kg/h)
Methanol (kg/h) 7136.62
Free Fatty Acid
Glycerol (kg/h) 656.84 30.93
FFA (kg/h)
FAME (kg/h) 7, 059.17
Water (kg/h) 47.83
Temperature (K) 333.15
Methanol (kg/h) 7, 788.60
Pressure (MPa) 0.128
Glycerol (kg/h) 1, 071.25
Methanol Stream FAME (kg/h) 11, 064.54
Methanol (kg/h) 1084.52 Temperature (K) 333.15
Temperature (K) 333.15 Pressure (MPa) 0.128
Pressure (MPa) 0.128

CALCULATIONS

To find the heat needed to maintain the temperature in the reactor an energy balance is made.
𝑑𝐸 1 ∆𝑃
= −𝑚̇ (∆𝑈 ̂ + 𝑔∆ℎ + ∆𝑣 2 + ) + 𝑄̇ + 𝑊̇
𝑑𝑡 2 𝜌
Potential energy and kinetic energy contribution to energy in the system is considered to be negligible. The work is also
negligible compared to the heat term. Therefore, the energy balance is reduced to:
∆𝑃
−𝑚̇ (∆𝑈 ̂ + ) + 𝑄̇ = 0
𝜌
For the heat transfer in a constant-pressure, closed system process, the enthalpy of the system is equal to U+PV.
Therefore, the balance becomes,
𝑚̇∆𝐻̂ = 𝑄̇
For heat transfer in molar basis,
𝑛̇ ∆𝐻 = 𝑄̇

The equation below calculates for the required heat to sustain the reaction at a temperature that is not at standard
conditions
∆𝐻 = ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 ሺ60°𝐶 → 25°𝐶ሻ + ∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ + ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 ሺ25°𝐶 → 60°𝐶ሻ

To calculate for the total heat that must be added to the system for the reaction triglyceride and methanol to produce
fatty acid methyl ester and glycerol, a one mole of triglyceride is used as basis.

Basis: 1 mole reacted TG

The governing chemical equation is described by Figure 1. From the stoichiometry in the reaction, 1 mole of triglyceride
reacts with 3 moles of alcohol, methanol in this reactor’s case, to form 3 fatty acid alkyl esters and glycerol/glycerin. The
triglyceride in the rice bran oil is assumed to be composed of triolein, therefore, the alkyl ester is methyl oleate.
Figure 1. Transesterification reaction for biodiesel production using a basic catalyst

Calculation of Heat Capacities


The heat capacity of triolein, methanol, methyl oleate and glycerol is estimated by Ruzicka-Domalski method. The
Ruzicka-Domalski method is applicable for organic compounds, the method employs accounting all the attached
groups to the compound. The cubic polynomial equation is given by:

𝐶𝑝 𝑇 𝑇 2
= 𝐴+𝐵( )+𝐷( )
𝑅 100 100
Where A, B and D are,
𝐴 = ෍ 𝑛𝑔,𝑖 𝑎𝑖 𝐵 = ෍ 𝑛𝑔,𝑖 𝑏𝑖 𝐷 = ෍ 𝑛𝑔,𝑖 𝑑𝑖

Table 1 shows all the individual values of a, b, and d for each group i in the compound.

Table 1. Individual Group Contribution for the Heat Capacity


TG: Triolein
Group 𝑛𝑔,𝑖 a* b* d*
C-(2C),(H),(O) 1 0.98790 0.39403 -0.01612
C-(2H),(C),(O) 2 1.45960 1.46570 -0.27140
O-(C),(CO) 3 -21.43400 -4.01640 3.05310
CO-(C),(O) 3 29.24600 3.42610 -2.89620
C-(C),(CO),(2H) 3 6.67820 -2.44730 0.47121
C-(2C),(2H) 33 2.79720 -0.05497 0.10679
C-(C),(2H),(Cd) 6 2.02680 -0.20137 0.11624
Cd-(C),(H) 6 4.07490 -1.07350 0.21413
C-(C),(3H) 3 3.84520 -0.33997 0.19489
Methanol
Group 𝑛𝑔,𝑖 a b d
C-(3H,OH) 1 3.84520 -0.33997 0.19489
O-H,C 1 12.95200 -10.14500 2.62610
FAME: Methyl Oleate
Group 𝑛𝑔,𝑖 a b d
O-(C),(CO) 1 -21.43400 -4.01640 3.05310
CO-(C),(O) 1 29.24600 3.42610 -2.89620
C-(C),(CO),(2H) 1 6.67820 -2.44730 0.47121
C-(2C),(2H) 11 2.79720 -0.05497 0.10679
C-(C),(2H),(Cd) 2 2.02680 -0.20137 0.11624
Cd-(C),(H) 2 4.07490 -1.07350 0.21413
C-(C),(3H) 1 3.84520 -0.33997 0.19489
C-(3H),(O) 1 3.84520 -0.33997 0.19489
Glycerol
Group 𝑛𝑔,𝑖 a b d
C-(2C),(H),(O) 1 0.98790 0.39403 -0.01612
O-(H),(C) 3 12.95200 -10.14500 2.62610
C-(2H)(C)(O) 2 1.45960 1.46570 -0.27140
*data taken from [3]

Sample calculation for heat capacity using glycerol


From figure 1, it can be seen that there is (1) one carbon attached to 2 carbon atoms, one hydrogen atom, and one
oxygen atom (2) 3 oxygen atoms attached to 1 hydrogen atom and one carbon atom, and (3) 2 carbon atoms attached
to 2 hydrogen atoms, 1 carbon atom and one oxygen atom. Using this info A, B, D for glycerol can be calculated.

For A.
𝐴 = ෍ 𝑛𝑔,𝑖 𝑎𝑖 = 1 ∙ 0.98790 + 3 ∙ 12.9520 + 2 ∙ 1.45960 = 42.76310
For B,
𝐵 = ෍ 𝑛𝑔,𝑖 𝑏𝑖 = 1 ∙ 0.39403 + 3 ∙ −10.14500 + 2 ∙ 1.46570 = −27.10957
For D,
𝐷 = ෍ 𝑛𝑔,𝑖 𝑑𝑖 = 1 ∙ −0.01612 + 3 ∙ 2.62610 + 2 ∙ −0.27140 = 7.31938

Table 2 summarizes all the values of A, B, and D for TG, Methanol, Methyl Oleate and Glycerol.

Table 2. Temperature Coefficients of Substances


Substance A B D
TG (Triolein) 187.83110 -16.27041 7.41637
Methanol 16.79720 -10.48497 2.82099
Methyl Oleate 65.15320 -6.87192 2.85332
Glycerol 42.76310 -27.10957 7.31938

Calculation of Sensible Heats


The sensible heat of the system to be calculated ranges at temperatures 25°C and 60°C, therefore, it is necessary to
evaluate the sensible-heat integral to account the temperature-dependency of the heat capacity.
𝑇𝐶
𝑝 𝐵 2 2 𝐷
∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 = 𝑅 ∫ 𝑑𝑇 = 𝐴𝑇𝑜 ሺ𝜏 − 1ሻ + 𝑇𝑜 ሺ𝜏 − 1ሻ + 𝑇 3 ሺ𝜏 3 − 1ሻ
𝑇𝑜 𝑅 200 3ሺ100ሻ2 𝑜

𝑇
Where 𝜏 = , and this expression could be reduced into the equations below to separate the ∆𝑇 (or 𝑇- 𝑇𝑜 )
𝑇𝑜
∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 = 〈𝐶𝑝 〉𝐻 ሺ𝑇 − 𝑇𝑜 ሻ
and
〈𝐶𝑝 〉𝐻 𝐵 𝐷
=𝐴+ 𝑇𝑜 ሺ𝜏 + 1ሻ + 𝑇 2 ሺ𝜏 2 + 𝜏 + 1ሻ
𝑅 100 3ሺ100ሻ2 𝑜

To calculate for the sensible heats


∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ, ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ25°𝐶 → 60°𝐶ሻ
= ෍ 𝑛𝑟,𝑖 〈𝐶𝑝 〉𝐻 ሾ𝑇 − 𝑇𝑜 ሿ, ෍ 𝑛𝑝,𝑖 〈𝐶𝑝 〉𝐻 ሾ𝑇 − 𝑇𝑜 ሿ

= ෍ 𝑛𝑟,𝑖 〈𝐶𝑝 〉𝐻 ሾ−35𝐾ሿ , ෍ 𝑛𝑝,𝑖 〈𝐶𝑝 〉𝐻 ሾ35𝐾ሿ

Table 3. Temperature Values used in calculations


ሺ60°𝐶 → 25°𝐶ሻ ሺ25°𝐶 → 60°𝐶ሻ
𝜏 0.89494 1.11739
𝑇𝑜 ሺ𝐾ሻ 333.15 298.15
𝑇 − 𝑇𝑜 ሺ𝐾ሻ -35 35
𝜏2 + 𝜏 + 1 2.69586 3.36595

Table 4. Mean Heat Capacity of Substances and Sensible Heats


〈𝐶𝑝 〉𝐻 (J/mol K) ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺJሻ
Reactant 𝑛𝑟,𝑖
for ሺ60°𝐶 → 25°𝐶ሻ ሺ60°𝐶 → 25°𝐶ሻ
TG (Triolein) 1 1134.64551
-25484.57455
Methanol 3 -135.50494
〈𝐶𝑝 〉𝐻 (J/mol K) ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺJሻ
Product 𝑛𝑝,𝑖
for ሺ25°𝐶 → 60°𝐶ሻ ሺ25°𝐶 → 60°𝐶ሻ
Methyl Oleate 3 361.34473
25484.88929
Glycerol 1 -355.90347
Sample calculations:
Calculation of 〈𝐶𝑝 〉𝐻 for triolein,
〈𝐶𝑝 〉𝐻 𝐵 𝐷
=𝐴+ 𝑇𝑜 ሺ𝜏 + 1ሻ + 𝑇 2 ሺ𝜏 2 + 𝜏 + 1ሻ
𝑅 100 3ሺ100ሻ2 𝑜
𝐽 −16.27041
〈𝐶𝑝 〉𝐻 = 8.3143 [187.83110 + ሺ333.15ሻሺ0.89494 + 1ሻ
𝑚𝑜𝑙𝐾 100
7.41637
+ ሺ333.15ሻ2 ሺ0.894942 + 0.89494 + 1ሻ]
3ሺ100ሻ2
𝐽
〈𝐶𝑝 〉𝐻 = 1134.64551
𝑚𝑜𝑙 𝐾

Calculation of ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 (60°𝐶 → 25°𝐶ሻ,

∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ = ෍ 𝑛𝑟,𝑖 〈𝐶𝑝 〉𝐻 ሾ𝑇 − 𝑇𝑜 ሿ


∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ
1134.64551J
= ሺ1𝑚𝑜𝑙ሻ ( ) ሺ−35𝐾ሻ
molK
J
+ 3𝑚𝑜𝑙ሺ−135.50494 ሻሺ−35𝐾ሻ
molK
∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒 ሺ60°𝐶 → 25°𝐶ሻ = −25484.57455

Calculation of Heat of Reaction

The heat of reaction at standard conditions is calculated by,


∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ = ෍ 𝑛𝑟,𝑖 ∆𝐻°𝑓,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 − ෍ 𝑛𝑝,𝑖 ∆𝐻°𝑓,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠

The standard enthalpy (heat) of formation is the enthalpy change upon formation of 1 mole of the compound in its
standard state from its constituent elements in their standard states [3]. Enthalpy of formation of the compounds is
calculated by Domalski-Hearing method which uses group contribution of the groups constituting the organic
compounds to account the heat of formation of the compound.
∆𝐻°𝑓,𝑠𝑢𝑏𝑠𝑡𝑎𝑛𝑐𝑒 = ෍ 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯
𝑖

Table 5. Individual Group Contribution for the heat of formatiion at standard conditions
TG: Triolein
𝑘𝐽
Group 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ * 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ ( )
𝑖 𝑖 𝑚𝑜𝑙
C-(2C),(H),(O) 1 -21.00 -21.00
C-(2H),(C),(O) 2 -35.80 -71.60
O-(C),(CO) 3 -23.50 -70.50
CO-(C),(O) 3 -149.37 -448.11
C-(C),(CO),(2H) 3 -24.14 -72.42
C-(2C),(2H) 33 -25.73 -849.09
C-(C),(2H),(Cd) 6 -25.73 -154.38
Cd-(C),(H) 6 31.05 186.30
C-(C),(3H) 3 -47.61 -142.83
Methanol
𝑘𝐽
Group 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ * 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ ( )
𝑖 𝑖 𝑚𝑜𝑙
C-(3H,OH) 1 -47.61 -47.61
O-H,C 1 -191.50 -191.50
FAME: Methyl Oleate
𝑘𝐽
Group 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ * 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ (𝑚𝑜𝑙)
𝑖 𝑖
O-(C),(CO) 1 -23.50 -23.50
CO-(C),(O) 1 -149.37 -149.37
C-(C),(CO),(2H) 1 -24.14 -24.14
C-(2C),(2H) 11 -25.73 -283.03
C-(C),(2H),(Cd) 2 -25.73 -51.46
Cd-(C),(H) 2 31.05 62.10
C-(C),(3H) 1 -47.61 -47.61
C-(3H),(O) 1 -47.61 -47.61
Glycerol
𝑘𝐽
Group 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ * 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ ( )
𝑖 𝑖 𝑚𝑜𝑙
C-(2C),(H),(O) 1 -27.60 -27.60
O-(H),(C) 3 -191.50 -574.50
C-(2H)(C)(O) 2 -35.80 -71.60

Sample calculations
∆𝐻°𝑓,𝑚𝑒𝑡ℎ𝑎𝑛𝑜𝑙 = ෍ 𝑛𝑔,𝑖 ൫∆𝐻°𝑓 ൯ = ሺ1ሻሺ−47.61ሻ + ሺ1ሻሺ−191.50ሻ
𝑖
𝑘𝐽
∆𝐻°𝑓,𝑚𝑒𝑡ℎ𝑎𝑛𝑜𝑙 = −239.11
𝑚𝑜𝑙
*data taken from [3]

Table 6. Heat of Formations


𝑘𝐽
Reactant 𝑛𝑟,𝑖 ∆𝐻°𝑓,𝑠𝑢𝑏𝑠𝑡𝑎𝑛𝑐𝑒 ( )
𝑚𝑜𝑙
TG (Triolein) 1 -1643.63
Methanol 3 -239.11
Product 𝑛𝑝,𝑖 ∆𝐻°𝑓
Methyl Oleate 3 -564.62
Glycerol 1 -673.70

∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ = 3 ∆𝐻°𝑓,𝑚𝑒𝑡ℎ𝑦𝑙 𝑜𝑙𝑒𝑎𝑡𝑒 + ∆𝐻°𝑓,𝑔𝑙𝑦𝑐𝑒𝑟𝑜𝑙 − ∆𝐻°𝑓,𝑡𝑟𝑖𝑜𝑙𝑒𝑖𝑛 − 3 ∆𝐻°𝑓,𝑚𝑒𝑡ℎ𝑎𝑛𝑜𝑙


kJ kJ
∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ = ሺ3 𝑚𝑜𝑙ሻ (−564.62 ) + ሺ1 𝑚𝑜𝑙ሻ (−673.70 )
mol mol
kJ
− ሺ1𝑚𝑜𝑙ሻ (−1643.63 ) − ሺ3 𝑚𝑜𝑙ሻሺ−239.11kJ/molሻ
mol
∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ = −6.6 𝑘𝐽

Heat of reaction
∆𝐻 = ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 ሺ60°𝐶 → 25°𝐶ሻ + ∆𝐻°𝑟𝑥𝑛 ሺ25°𝐶ሻ + ∆𝐻𝑠𝑒𝑛𝑠𝑖𝑏𝑙𝑒,𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 ሺ25°𝐶 → 60°𝐶ሻ
∆𝐻 = −25 484.57455 J + −6 600 𝐽 + 25 484.88929 J
∆𝐻 = −6 599.685263 𝐽

𝐽
Since the calculation is done in 1 mole TG basis, the heat is −6 599.685263 𝑚𝑜𝑙 𝑇𝐺. To calculate for the total Q that
must be added to the system to maintain the reaction at 60°C, multiply the total moles of TG reacted in the system per
hour. Since the conversion changes along the length of the reactor, the total Q is evaluated at different moles of TG
reacted.

̇
𝑛̇ ∆𝐻 = 𝑄𝑡𝑜𝑡
Table 7.
X n (mol reacted TG) L (m) ̇ (KJ/h)
𝑄𝑡𝑜𝑡
0.000 - 0 -
-
0.173 795.85 0.228650227
5,252.34
-
0.316 1,453.91 0.457300454
9,595.37
-
0.435 1,998.04 0.685950681
13,186.44
-
0.533 2,447.95 0.914600909
16,155.69
-
0.614 2,819.94 1.143251136
18,610.74
-
0.681 3,127.51 1.371901363
20,640.59
-
0.736 3,381.81 1.60055159
22,318.86
-
0.782 3,592.05 1.829201817
23,706.40
-
0.820 3,765.87 2.057852044
24,853.57
-
0.851 3,909.58 2.286502271
25,801.98
-
0.877 4,028.38 2.515152498
26,586.05
-
0.898 4,126.60 2.743802726
27,234.25
-
0.916 4,207.79 2.972452953
27,770.11
-
0.930 4,274.91 3.20110318
28,213.09
-
0.942 4,330.40 3.429753407
28,579.29
-
0.952 4,376.27 3.658403634
28,882.00
-
0.961 4,414.18 3.887053861
29,132.22
-
0.968 4,445.52 4.115704088
29,339.06
-
0.973 4,471.43 4.344354315
29,510.04
-
0.978 4,492.84 4.573004543
29,651.36
-
0.980 4,502.94 4.698
29,717.96
35.00

30.00

25.00
-Qtot (kJ/h)

20.00

15.00

10.00

5.00

-
0.000 0.100 0.200 0.300 0.400 0.500 0.600 0.700 0.800 0.900 1.000
XTG

Figure 2. Heat released as a function of conversion

35.00

30.00

25.00
-Qtot (kJ/h)

20.00

15.00

10.00

5.00

-
0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5
L (m)

Figure 3. Heat released along the packed bed reactor

For X=0.980,
𝑚𝑜𝑙 𝑇𝐺 𝐽
𝑄̇ = 4502.936 (−6 599.685263 )
ℎ 𝑚𝑜𝑙 𝑇𝐺
𝒌𝑱
𝑸̇ = −𝟐𝟗 𝟕𝟏𝟕. 𝟗𝟔𝟐𝟕𝟓
𝒉

𝑸̇ = −𝟖 𝟐𝟓𝟒. 𝟗𝟖𝟗𝟔𝟓𝟐 𝑾 = −𝟖. 𝟐𝟓𝟓 𝒌𝑾


RESULTS AND CONCLUSION

From the calculated heat above, the reaction is exothermic and heat should be supplied to maintain the
desired temperature of the system. The rate of heat transfer to the system is a function of conversion and the
𝒌𝑱
maximum heat that must be supplied is −𝟐𝟗 𝟕𝟏𝟕. 𝟗𝟔𝟐𝟕𝟓 𝒉 .
.

COMPUTER PROGRAMS USED (Version No.) Microsoft Excel 2016


ELECTRONIC CALCULATION FILE NAME: CHE 514N Design Balances.xlsx
(since you will be submitting a CD containing our electronic files)

REV DATE REVISION DESCRIPTION BY CHKD BY APPVD BY

A 05/31/2017

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