PROCESS SIMULATION & AIDED DESIGN!!!

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The demand of olefins, especially propylene, increased in the chemical and petrochemical industries for various applications. Conceptualizing the product value-adding approach, propylene can be produced through the metathesis of the low-value heavy C4 fraction (known as nBB) from a fluid catalytic cracking unit. The nBB is composed of 70 mol% cis 2- butene and 30 mol% n-butane, the latter being an inert species. A gas-phase metathesis of nBB takes place in the presence of tungsten oxide silica catalyst and results in the following reactions: Isomerisation CHHCECHCH, CH CH.CH=CH, cis 2-butene (A) 1-butene (B) Eq. (1) Cross Metathesis CH.HC-CHCH, + CH.CH.CHECH, CH.CH-CH+CH.CH.CH-CHCH, cis 2-butene (A) 1-butene (B) Propylene (C) cis 2-pentene (D) Eq. (2) The kinetic data for the respective isomerization and cross metathesis reactions is shown below: Isomerisation --=k,C,-kC Eq. (3) where r is the rate of reaction in kmol.m's', C and C, are the concentration in kmol.m. for A and B respectively, ky and kin are the rate constants for the forward and reverse reactions, respectively. K and kn can be related to temperature using the Arrhenius equation as shown in Eq. (4) and (5): ky = A, expl A., en RT Eq. (4) -EX kir = Ar expl Eq. (5) where A, and As are the pre-exponential factor for forward and reverse reaction with the values of 1.877 s' and 56.447 s' respectively, whereas E, and E, are the activation energy -EC RT for the forward and reverse reactions with the values of 25128 J.mol' and 15528 J.mol respectively. Cross Metathesis --;-C.C.-K.CC Eq. (6) where r, is the rate of reaction in kmol.m's', C is the concentration in kmol.m for the respective compound, ky and ky are the rate constants for the forward and reverse reactions, respectively. ky and k can be related to temperature using the Arrhenius equation as shown in Eq. (7) and (8) (-ERE kar = A, exp RT Eq. (7) k2x = 4,, expl -E, RT Eq. (8) where Ay and Ayx are the pre-exponential factor for forward and reverse reaction with the values of 1.597 x 10 m.kmol's' and 6.66 x 10' m'.kmol's' respectively, whereas Ey and Ey are the activation energy for the forward and reverse reactions with the values of 102021 J.mol' and 100824 J.mol' respectively. (a) The nBB metathesis reaction is carried out in a lab scale tubular reactor with diameter of 0.050 m and length of 1 m. The nBB is fed at a flow rate of 1 mol.hr' at the reaction conditions with the temperature of 550 C and pressure of 1.013 bar. Simulate the process using Peng Robinson property method and determine the conversion of cis 2- F.-F Fem butene and yield of propylene (Additional info: C F F -Fow). : [10 Marks CO3, PO5, C31 (b) Using Design/Spec function, determine the reactor length required to achieve 70% conversion of cis 2-butene. 15 Marks (c) A group of researchers plan to commercialise the nBB metathesis reaction for the production of propylene. The process will be scaled up using a multi-tube reactor. As one of a team member in this research group, verify through simulation for the number of tubes required in the multi-tube reactor for producing 100 tons per annum of propylene. The tube dimension is identical to the one determined in (b). 15 Marks] The demand of olefins, especially propylene, increased in the chemical and petrochemical industries for various applications. Conceptualizing the product value-adding approach, propylene can be produced through the metathesis of the low-value heavy C4 fraction (known as nBB) from a fluid catalytic cracking unit. The nBB is composed of 70 mol% cis 2- butene and 30 mol% n-butane, the latter being an inert species. A gas-phase metathesis of nBB takes place in the presence of tungsten oxide silica catalyst and results in the following reactions: Isomerisation CHHCECHCH, CH CH.CH=CH, cis 2-butene (A) 1-butene (B) Eq. (1) Cross Metathesis CH.HC-CHCH, + CH.CH.CHECH, CH.CH-CH+CH.CH.CH-CHCH, cis 2-butene (A) 1-butene (B) Propylene (C) cis 2-pentene (D) Eq. (2) The kinetic data for the respective isomerization and cross metathesis reactions is shown below: Isomerisation --=k,C,-kC Eq. (3) where r is the rate of reaction in kmol.m's', C and C, are the concentration in kmol.m. for A and B respectively, ky and kin are the rate constants for the forward and reverse reactions, respectively. K and kn can be related to temperature using the Arrhenius equation as shown in Eq. (4) and (5): ky = A, expl A., en RT Eq. (4) -EX kir = Ar expl Eq. (5) where A, and As are the pre-exponential factor for forward and reverse reaction with the values of 1.877 s' and 56.447 s' respectively, whereas E, and E, are the activation energy -EC RT for the forward and reverse reactions with the values of 25128 J.mol' and 15528 J.mol respectively. Cross Metathesis --;-C.C.-K.CC Eq. (6) where r, is the rate of reaction in kmol.m's', C is the concentration in kmol.m for the respective compound, ky and ky are the rate constants for the forward and reverse reactions, respectively. ky and k can be related to temperature using the Arrhenius equation as shown in Eq. (7) and (8) (-ERE kar = A, exp RT Eq. (7) k2x = 4,, expl -E, RT Eq. (8) where Ay and Ayx are the pre-exponential factor for forward and reverse reaction with the values of 1.597 x 10 m.kmol's' and 6.66 x 10' m'.kmol's' respectively, whereas Ey and Ey are the activation energy for the forward and reverse reactions with the values of 102021 J.mol' and 100824 J.mol' respectively. (a) The nBB metathesis reaction is carried out in a lab scale tubular reactor with diameter of 0.050 m and length of 1 m. The nBB is fed at a flow rate of 1 mol.hr' at the reaction conditions with the temperature of 550 C and pressure of 1.013 bar. Simulate the process using Peng Robinson property method and determine the conversion of cis 2- F.-F Fem butene and yield of propylene (Additional info: C F F -Fow). : [10 Marks CO3, PO5, C31 (b) Using Design/Spec function, determine the reactor length required to achieve 70% conversion of cis 2-butene. 15 Marks (c) A group of researchers plan to commercialise the nBB metathesis reaction for the production of propylene. The process will be scaled up using a multi-tube reactor. As one of a team member in this research group, verify through simulation for the number of tubes required in the multi-tube reactor for producing 100 tons per annum of propylene. The tube dimension is identical to the one determined in (b). 15 Marks]