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Reaction Engineering II Worksheet

This document contains 5 problems related to reaction engineering involving chemical reactions carried out in continuously stirred tank reactors (CSTRs). The problems involve calculating conversions, temperatures, ignition and extinction temperatures, and determining stable steady states. Key information provided includes heat of reactions, rate constants, heat capacities, and reactor parameters.

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0% found this document useful (0 votes)
30 views4 pages

Reaction Engineering II Worksheet

This document contains 5 problems related to reaction engineering involving chemical reactions carried out in continuously stirred tank reactors (CSTRs). The problems involve calculating conversions, temperatures, ignition and extinction temperatures, and determining stable steady states. Key information provided includes heat of reactions, rate constants, heat capacities, and reactor parameters.

Uploaded by

hagt813
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

CHEMICAL ENGINEERING DEPARTMENT

Reaction Engineering II

Worksheet on Chapter Four

1. The elementary, irreversible, organic liquid-phase reaction A + B C is carried out in an


adiabatic CSTR reactor. An equal molar feed in A and B enters at 27ºC, and the volumetric
flow rate is 2 dm3/s and CA0 = 0.1 kmol/m3.
(a) Calculate the conversion achieved if the reaction is carried out in a 500 dm3 size reactor.
(b) Find the corresponding temperature of the reactor

Additional information:

H0A (273 K) = -20 kcal/mol, H0B (273 K) = -15 kcal/mol, H0C (273 K) = - 41 kcal/mol

CPA = CPB = 15 cal/mol K, CPC = 30 cal/mol K k = 0.01 at 300 K E = 10,000 cal/mol

2. The first-order, irreversible, exothermic liquid-phase reaction, A B is to be carried out in


a jacketed CSTR. Species A and inert I, are fed to the reactor in equi-molar amounts. The
molar feed rate of A is 80 mol/min.

Additional information

CPI= 30 cal/moloC CPA = CPB = 20 cal/moloC ∆HoRx = -7500 cal/mol

UA = 8000 cal/minoC k = 6.6 *103 min-1 at 350 K τ = 100 min

Ambient temperature, Ta = 300 K E = 40,000 cal/mol.K

(a) What is the reactor temperature for a feed temperature of 450 K?

(b) Plot and then analyze the reactor temperature as a function of the feed temperature.

(c) To what inlet temperature must the fluid be preheated for the reactor to operate at a high
conversion? What are the corresponding temperature and conversion of the fluid in the CSTR at
this inlet temperature?
(d) Suppose that the fluid inlet temperature is now heated 50C above the reactor temperature in
part (c) and then cooled 200C, where it remains. What will be the conversion?

(e) What is the inlet extinction temperature for this reaction system?

3. The reversible liquid phase reaction A B is carried out in a 12dm3 CSTR with
heat exchange. Both the entering temperature, T0, and the heat exchange fluid, Ta, are at 330
K. An equal molar mixture of inert and A enter the reactor.

(a) Choose a temperature, T, and carry out a calculation to find G(T) to show that your
calculation agrees with the corresponding G(T) value on the curve shown below at the
temperature you choose.

(b) Find the exit conversion and temperature from the CSTR.

(c) What entering temperature T0 would give you the maximum conversion?

(d) What would the exit conversion and temperature be if the heat-exchange system failed (i.e.,
U = 0)?

(e) Can you find the inlet ignition and extinction temperatures? If yes, what are they? If not, go
on to the next problem.

. Additional information

CPA = CPB = 100 cal/mol.K, CPI = 150cal/mol.K k = 0.001h-1 at 300K with E = 30000 cal/mol

FA0 = 10 mol/h, CA0 = 1 mol/dm3 , υ0 = 10dm3/h KC = 5000000 at 300K

∆HRx = -42 000 cal/mol, UA = 5000 cal/h.K

The G(T) curve for this reaction is shown below


4. The irreversible reaction A+B C + D is carried out adiabatically in a CSTR. The
“heat generated” G (T) and the “heat removed” R (T) curves are shown in Figure below.

(a)What is the ΔHRx of the reaction?

(b) What are the inlet ignition and extinction temperatures?

(c) What are all the temperatures in the reactor corresponding to the inlet ignition and extinction
temperatures?

(d) What are the conversions at the ignition and extinction temperatures?
5. The elementary reversible liquid-phase reaction A <=> B takes place in a CSTR with a heat
exchanger. Pure A enters the reactor.
(a) Derive an expression (or set of expressions) to calculate G (T) as a function of the heat of
reaction, equilibrium constant, temperature, and so on. Show a sample calculation for G (T)
at T0 = 400 K.
(b) What are the steady-state temperatures? (Ans.: 310, 377, 418 K.)
(c) Which steady states are locally stable?
(d) What is the conversion corresponding to the upper steady state?
(e) Vary the ambient temperature Ta and make a plot of the reactor temperature as a function
of Ta, identifying the ignition and extinction temperatures.
(f) If the heat exchanger in the reactor suddenly fails (i.e., UA = 0), what would be the
conversion and the reactor temperature when the new upper steady state is reached? (Ans.:
431 K.)
(g) What heat exchanger product, UA, will give the maximum conversion?
(h) Write a question that requires critical thinking and then explain why your question
requires critical thinking.
(i) What is the adiabatic blowout flow rate?
(j) Suppose that you want to operate at the lower steady state. What parameter values would
you suggest to prevent runaway, e.g., the upper SS?
Additional information
UA = 3600 cal/min.K E/R = 20,000 K CPA = CPB = 40 cal/mol K
V = 10 dm3 ∆HRx = -80,000 cal/mol A υ0 = 1 dm3 /min
KC = 100 at 400 K FA0 = 10 mol/min k = 1 min-1 at 400K
Ambient temperature, Ta = 370C Feed temperature T0 = 370C

Common questions

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An inert species affects the thermodynamics by absorbing some of the reaction heat, which can attenuate temperature rises in exothermic reactions, possibly stabilizing the reactor temperature. This thermal absorption can lead to a moderated rate of conversion improvement, which might be beneficial in preventing thermal runaway. In terms of kinetics, the presence of an inert generally dilutes the reactants, potentially reducing the effective concentration of active species, which might decrease the reaction rate. However, this can be advantageous for controlling overly aggressive reactions and maintaining stable conversion rates within safe operational limits .

Upon heat-exchange system failure, parameters such as reactor temperature, pressure, conversion rates, and feed composition should be meticulously monitored to ensure safety and stability in a CSTR. Reactor temperature should be closely watched for any sharp increases indicating potential runaway conditions. Pressure monitoring can reveal abnormal behavior due to thermal expansion or rapid reaction progress. Monitoring conversion rates provides insight into changes in reaction extent that may destabilize the operating regime. Lastly, adjustments in feed composition and rate may be necessary to manage conversions and thermal behaviours effectively, ensuring design limits are not exceeded .

In a CSTR handling first-order reactions, the molar feed rate directly correlates with conversion outcomes by dictating the space time available for the reaction to occur. The space time, determined by the ratio of reactor volume to molar feed rate, affects the residency time of reactants within the reactor. Higher feed rates reduce residence time, which can lower conversion because the reactants have less time to react fully. Conversely, lower feed rates increase residence time, enhancing conversion as reactants undergo more complete reaction. Hence, optimizing the feed rate is critical for maximizing conversion efficiency in continuous operations .

In an adiabatic CSTR, reaction enthalpy (ΔHRx) and specific heat capacities (C_PA, C_PB, C_PC) directly affect the temperature and conversion profiles. The exothermic nature of the reaction leads to a temperature rise, which is proportional to the heat generated divided by the sum of the products of molar flow rates and specific heat capacities (C_P). The extent of conversion (X) impacts and is impacted by these thermal effects, as conversion increases the reaction enthalpy contributes to further temperature changes, creating a feedback loop. Specifically, the increase in reactor temperature due to exothermic enthalpy increases reaction rates, thus pushing conversion higher .

Feed temperature control is crucial in an exothermic CSTR because it directly influences the reactor's thermal balance and conversion levels. An increase in feed temperature can lead to a higher reaction rate due to increased kinetic energy, subsequently raising conversion levels. However, excessive temperature can prompt larger exothermic peaks that threaten stability, potentially causing runaway reactions. Conversely, a lower feed temperature may prevent optimal conversion by slowing the reaction rate. Thus, precise control allows maintaining the reaction within safe operating limits that maximize conversion without compromising safety .

The activation energy (E) affects the temperature sensitivity through its role in the Arrhenius equation, which describes the reaction rate constant (k). A higher activation energy indicates that the reaction rate is more sensitive to temperature changes. As temperature increases, the exponential term in the Arrhenius equation increases significantly if E is high, leading to a rapid increase in reaction rate. Consequently, in a CSTR, this temperature sensitivity can significantly impact the conversion and reactor stability, often necessitating careful control of temperature to avoid conditions such as runaway reactions or extinction .

Understanding ignition and extinction temperatures is crucial for safety and efficiency in CSTR operations with exothermic reactions, as these temperatures define the thermal stability bounds. The ignition temperature is the minimum temperature at which a reaction will sustain itself due to sufficient heat generation, while the extinction temperature is the upper bound beyond which the reaction's self-sustaining nature is lost. Accurately identifying these temperatures helps in designing control systems to maintain operations within stable regimes, avoiding runaway reactions or process shutdowns that can lead to safety hazards and operational interruptions .

The equilibrium constant (Kc) is pivotal in determining the exit conversion in a reversible CSTR reaction since it defines the ratio of product to reactant concentrations at equilibrium. A large Kc indicates that the reaction strongly favors product formation, thus leading to higher exit conversions. Conversely, a small Kc suggests significant reactant presence, hence lower exit conversions, as the reaction less favorably proceeds to completion. The equilibrium constant quantifies the maximum feasible conversion under given conditions, necessitating operational adjustments to maximize proximity to this theoretical limit .

Equimolar feeding of reactants, such as A and B, in adiabatic liquid-phase reactions ensures that the reactants are consumed in stoichiometric proportions, minimizing excess reactant presence and optimizing conversion. This balance can prevent unreacted components from absorbing reactor heat inefficiently, allowing broader utilization of the exothermic heat for reaction progress. Furthermore, it simplifies the reaction product distribution calculations and can lead to predictable reactor performance, aiding in controlling the reaction conditions and maximizing the reaction extent .

The failure of a heat-exchange system in a CSTR conducting a reversible reaction can lead to significant deviations from the steady-state as the reactor loses an important mechanism for removing or supplying heat, necessary to maintain controlled reaction rates. Without heat exchange (UA = 0), the system may experience a sharp rise in temperature due to exothermic reactions or reduced heat dissipation, potentially driving the system to a new equilibrium with higher temperature and lower conversion efficiency, as system constraints push it towards the natural exothermic temperature rise characteristic. This can also push the reaction closer to an adiabatic pathway, increasing the likelihood of reaching ignition or runaway conditions .

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