Assignment 1
Assignment 1
CHE505
ASSIGNMENT-1
DUE DATE: 6 DECEMBER 2019
With the aid of a simple sketch, derive the residence time equations for both gas and
liquid phases
Derive the mass balance equations for both gas and liquid phases with the assumption
that there is no gas-phase reaction and the liquid phase reaction rate is 𝑟𝑙=𝑘𝑙 𝐶𝐴 .
A + 2O2 → Product
If the conversion of A is 95%, and there is no reaction in the gas phase, propose the
limiting cases for this reaction whether it is a reaction limited or a mass transfer limited.
Justify your answer by considering the length of reactor and state all assumptions.
Additional Information:
MW of A= 120 g/mol
Rate Constant (k) = 102 L/mol.sec
Henry’s law Constant = 1 x 105 atm
Universal Gas Constant, R = 82.06 cm3.atm/mol.K
Diffusivity of O2 = 0.2 cm2/s
ShD for laminar flow through a tube = 8/3
4. A liquid 1-propanol, with density = 0.803 g/cm3 and molecular weight = 60 g/mol, contains
organic contaminant A which must be removed by hydrogenation in a bubble column
reactor by the reaction A + H2 → B. The column is operated at 25 °C and installed with
an impeller. The gas bubbles contains 10 mol% H2 and constantly rise at 10 cm/sec. The
liquid flow rate is 10 liter/sec. Mass transfer of H2 is sufficiently fast and it remains in
equilibrium in the liquid phase. State the assumptions necessary and estimate the liquid
volume of the reactor necessary to attain 99% conversion at a pressure of 1 atm. The
Henry’s Law constant of H2 in organic solvent is 3 x 105 atm and k𝑙 is 2 x 102 liter/mol.sec.
5. A spherical gold nano-particle catalyst with diameter, d is used to promote addition of
carbon bond in an organic compound in a slurry reactor. Diffusion coefficient of the
reactant is DA. The stirring is sufficiently slow that the organic fluid around particles is
stagnant and reaction r’’ = kCAS occurred on the catalyst surface.
′′ 𝑘 ′′
a) If the effective rate constant is 𝑘𝑒𝑓𝑓 = 𝑘′′
, develop rate of reaction expression, r’’
1+
𝑘𝑚𝐴
′′
on the catalyst surface in terms of 𝑘𝑒𝑓𝑓
b) Determine the total rate of reaction, r’’ in terms of catalyst diameter, d and diffusion
coefficient, DA.
c) Explain the effect of catalyst particle diameter on the total rate of reaction and the
slurry reactor design
6. The volumetric flow rate of reactant A in a 1.2 m3 packed bed reactor is 1 L/s and the
reactor is filled with 5.5 mm diameter catalyst spheres in which they occupy 85% of the
reactor’s total volume. The reaction that takes place in the reactor is first order with
pseudo-homogeneous rate coefficient of 4 x 10-3 s-1. Determine:
b) the conversion if the reaction occurs only on the external surface of the catalyst
spheres with a rate of 3 x 10-6 CA (moles cm-2s-1)
7. Dehydrogenation of ethylbenzene (E) to styrene (St) and hydrogen (H2) is carried out on
an iron oxide catalyst.
C6H5CH2CH3 ↔ C6H5CH=CH2 + H2
The mechanism is given below (S is an active site):
E + S ↔ E·S (1)
E·S → St·S + H2 (2)
St.S ↔ St + S (3)
It is known that step (2) in the mechanism is controlling and is essentially irreversible.
a) Derive the overall rate expression for the reaction.
8. Most Combustion reactions involve chain reaction steps. However, a highly exothermic
combustion reaction may lead to explosion. Explain the definition of chain branching
reaction and how its mechanism can lead to explosion.
9. Chain reaction of A → B + C is believed to take place according to the following sequence:
𝑘𝑖
𝐴→ 𝑅
𝑘𝑝
𝐴+𝑅→ 𝐵+𝐶+𝑅
𝑘𝑡
𝑅→ 𝑋
The termination step occurs by adsorption of radical, R on the wall of continuous stirred
tank reactor (CSTR). Based on the disappearance rate of reactant A, determine the
residence time required at maximum concentration of radical, R in terms of ki, kp and kt.
Assume that the chain reaction is limited by termination step.
𝑘𝑖
𝐴→ 𝑅
𝑘𝑝
𝐴+𝑅→ 𝐵+𝐶+𝑅
𝑘𝑡
2𝑅 → 𝑋
𝑘𝑡𝑆
𝑅+𝑆→ 𝑋
where A is reactant, B and C are major products, R is radical intermediate and S is the
scavenger species whose initial concentration is CS0.
Formulate an expression for the rate of this reaction in terms of CA and CS, assuming CR
is small. What are the possible orders of this reaction with respect to CA?