Annual Mass Balance Calculations
Reactor
MATERIALS IN stream 1 (F+R) OUT stream 2
Kmol Kg Kmol Kg
SALICYLIC ACID 5819 803015 291 40151
ACETIC ANHYDRIDE 6983 712210 1455 148389
SULPHURIC ACID - 80302 - 80302
ACETIC ACID _ _ 5528 331680
ASPIRIN _ _ 5528 995000
TOTALS 1595527 1595522
Annual Mass Balance for the aspirin production process-step 1
Crystallizer
MATERIALS IN stream 2 OUT stream 3
Kmol Kg Kmol Kg
SALICYLIC ACID 291 40151 291 40151
ACETIC ANHYDRIDE 1455 148389 1455 148389
SULPHURIC ACID - 803015 - 803015
ACETIC ACID 5528 331680 5528 331680
ASPIRIN 995000 995000
5528 5528
solution solution solid
TOTALS 1595516 1595516
Annual Mass Balance for the aspirin production process-step 2
Centrifuge
MATERIALS IN stream 3 IN stream 4 OUT stream 5
Kmol Kg Kmol Kg Kmol
SALICYLIC ACID 291 40151 - - 2943.094
ACETIC ANHYDRIDE 1455 148389 - - 1422.083
SULPHURIC ACID - 803015 - - 769.666
ACETIC ACID 5528 331680 - 5318.591
ASPIRIN 5528 995000 - - -
WATER - - - 995000
TOTALS 1595516 995000
TOTAL IN 2590516
TOTAL OUT
Annual Mass Balance for the aspirin production process-step 3
Drier
MATERIALS IN (7) OUT (8) OUT (9)
Kg Kg
Kmol Kmol Kmol
SALICYLIC ACID - -
ACETIC ANHYDRIDE - -
SULPHURIC ACID - -
ACETIC ACID - -
ASPIRIN 5528 995000 - 5528
15306
WATER 20306
vapour
TOTALS 1015306 15306
TOTAL IN 1015306
TOTAL OUT 1015306
Annual Mass Balance for the aspirin production process-step 4
Distilllation Column (Recovery)
OUT recycle steam
MATERIALS IN steam 5 OUT steam 11
10
Kmol Kg Kmol Kg Kmol
SALICYLIC ACID 2943.094 406147 2943.094 406147 -
ACETIC ANHYDRIDE 1422.083 145052.5 1422.083 145052.5 -
SULPHURIC ACID 769.666 75427.3 769.666 75427.3 -
ACETIC ACID 5318.591 319115.5 5318.591
261094,5
TOTALS 580210
TOTALS IN 580210
TOTALS OUT 580210
Annual Mass Balance for the aspirin production process-step 5
Energy Balance
Calculation
Heat Capacity (Cpa) ([Link]-1°C-1)
Element Solid Liquid
Carbon 7.5 12
Hydrogen 9.6 18
Oxygen 17 25
Sulphur 26 33
Cp (C7H6O3) =7(Cpa)C + 6(Cpa)H +3 (Cpa)O =7x7.5 +6 x 9.6+3 x 17=161.1 (J/mol/°C)
This is an example for how the salicylic acid (solid) is calculated for our case
Solid Heat Liquid
Capacity Heat
Compound Formula ([Link]-1°C-1) Capacity
([Link]-
1
°C-1)
Salicylic Acid
C7 H 6 O 3 161.1 267.0
(solid)
Acetic Anhydride
C4 H 6 O 3 138.6 231.0
(liquid)
Sulphuric Acid
H2SO4 113.2 169.0
(liquid)
Acetylsalicylic
C9 H 8 O 4 212.3 352.0
Acid (solid)
Acetic Acid
C2 H 4 O 2 87.4 146.0
(liquid)
Using the same concept we calculate the heat capacities for all compounds
Unit (J/mol/°C) needs to be converted to unit J/kg/k dividing heat capacities by weight of mole
Molecular
Compound
Weight (g/mol)
Salicylic Acid
138.1
(solid)
Acetic Anhydride
102.1
(liquid)
Sulphuric Acid
98.1
(liquid)
Acetylsalicylic
180.2
Acid (solid)
Acetic Acid
60.06
(liquid)
After dividing heat capacities by weight of mole heat capacity for each compound is follow:
Solid Heat
Liquid Heat
Capacity
Compound
(Jkg-1°C-1) Capacity
(Jkg-1°C-1)
Salicylic Acid 1166.3 1933.0
Acetic Anhydride 1357.5 2262.5
Sulphuric Acid 1154.2 1723.1
Acetylsalicylic
1178.3 1953.7
Acid
Acetic Acid 1455.2 2430.9
Reaactor Energy Balance
Mass at start of reactor process
Stream 1 (R+F) Specific Heat Δt (15-
Compound
(kg) Capacity (Jkg-1°C-1) 25) (°C)
Salicylic Acid 501.88 1166.3 10
Acetic Anhydride 445.13 2262.5 10
Sulphuric Acid 50.19 1723.1 10
To calculate change in enthalpy of reactants from 15°C to 25°C ∆H as follows:
∆H= mCpΔt
Where:
m= mass (kg)
Cp = Specific Heat Capacity (Jkg-1°C-1)
Δt = temperature difference (°C)
Compound Heat Added (kJ)
Salicylic Acid 5853
Acetic Anhydride 10071
Sulphuric Acid 865
Total 16,789kJ
Next step is to calculate heat of reaction for the process QR:
The reaction is exothermic and heat of reaction is given and equal – 85 kJ/mol
Total no. of moles in reaction per batch (n) :
621.19 kg acetylsalicylic acid /0.1802kg per mole acetylsalicylic acid =3447.2 moles.
Heat of reaction QR = -n∆H0R
QR = – 85 kJ/mol x3447.2 moles =- 293012kJ
To calculate change in enthalpy of products from 25°C to 90°C ∆H as follows:
∆H= mCpΔt
Heat
Specific Heat
Compound Stream 2 (kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Salicylic Acid 25.09 1166.3 65 1902
Acetic Anhydride 92.74 2262.5 65 13638
Sulphuric Acid 50.19 1723.1 65 5621
Acetylsalicylic Acid 621.19 1178.3 65 47576
Acetic Acid 207.3 2430.9 65 32756
101,493k
Total
J
Next step is to calculate total heat transferred to reactor QP:
QP = H products - H reactants + QR
Where :
QP = heat transferred to the reactor,
HP = total enthalpy of the products,
HR = total enthalpy of the reactants and
QR = reaction heat
QP = 101,493kJ -16,789kJ + (- 293012kJ) = -208308kJ
Energy Balance for Crystallizer
To calculate change in enthalpy of crystalliser products ∆H as follows:
∆H= mCpΔt
Heat
Specific Heat
Compound Stream 2 (kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Salicylic Acid 25.09 1166.3 -90 -2630
Acetic Anhydride 92.74 1357.5 -90 -11330
Sulphuric Acid 50.19 1723.1 -90 -7783
Acetylsalicylic
621.19 1178.3 -90 -65875
Acid
Acetic Acid 207.3 2430.9 -90 -45353
-
Total 132,971k
J
Drier Energy Balance
Heat
Specific Heat
Compound Stream 9 (kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Acetylsalicylic Acid
(solid)
621.19 1178.3 100 73.194
Water (liquid) 3.12 3360.5 90 943
Total 74,137kJ
Heat
Specific Heat
Compound Stream 8 (kg) Δt (°C) Added
Capacity (J/kg/°C)
(KJ)
Water 9.57 3360.5 100 3,215kJ
Latent Heat of
Vaporization(J/kg)
Water (vapour) 9.57 2257000 [3] 21,599kJ
Total 24,814kJ
Distillation Energy Balance
Compound Boiling Point (°C)
Acetic Acid 118.1 [4]
Acetic Anhydride 139.8 [5]
Sulphuric Acid 338 [6]
Heat
Specific Heat
Compound stream 10(kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Salicylic Acid 253.84 1166.3 118.1 34.963
Acetic Anhydride 90.65 2262.5 118.1 24.221
Sulphuric Acid 47.14 1723.1 118.1 9.592
Total 68,776 kJ
Heat
Specific Heat
Compound stream 11 (kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Acetic Acid 199.45 2430.9 118.1 57,259 kJ
Latent Heat of
Vapourisation (J/kg)
Acetic Acid 199.45 402000 [6] 80,178 kJ
137,437
Total
kJ
Heat
Specific Heat
Compound 10% reflux (kg) Δt (°C) Added
Capacity (J/kg/°C)
(kJ)
Acetic Acid 22.16 2430.9 93.1 5,015 kJ
Latent Heat of
Vapourisation (J/kg)
Acetic Acid 22.16 402000 8,908 kJ
Total 13,923 kJ
Heat
Stream 11 +10% Specific Heat
Compound Δt (°C) Added
reflux (kg) Capacity (J/kg/°C)
(kJ)
Acetic Acid 221.61 2430.9 -93.1 -50,154kJ
Latent Heat of
Condensation (J/kg)
-
Acetic Acid 221.61 -402000
89,0875kJ
-
Total 139,241k
J
hihi
OUT stream 5 OUT stream 6 OUT stream 7
Kg Kmol Kg Kmol
Kg
406147 10.3 1421.42 -
145052.5 49.7697 5076.5 - -
75427.3 26.936 2639.78 - -
319115.5 186.138 11168.3 - -
- - - - 995000
- - 974694 20306
580210 995000 1015306
2590516
OUT (9)
Kg
-
-
-
995000
5000
liquid
1000000
1015306
OUT steam 11
Kg
-
-
319115.5
5 319115,5
580210
eight of mole
