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Isothermal Reactor Design and Conversion

Chapter 5 discusses the design of isothermal reactors focusing on conversion, including batch, CSTR, and PFR systems. It outlines the necessary algorithms for reactor design, including mole balance, rate laws, and stoichiometry, while comparing different reactor configurations for optimal conversion rates. The chapter also addresses specific cases such as autocatalytic reactions and pressure drops in packed bed reactors.

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Chaohong Wang
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0% found this document useful (0 votes)
13 views13 pages

Isothermal Reactor Design and Conversion

Chapter 5 discusses the design of isothermal reactors focusing on conversion, including batch, CSTR, and PFR systems. It outlines the necessary algorithms for reactor design, including mole balance, rate laws, and stoichiometry, while comparing different reactor configurations for optimal conversion rates. The chapter also addresses specific cases such as autocatalytic reactions and pressure drops in packed bed reactors.

Uploaded by

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

Ch.

5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Chapter 5 Isothermal Reactor Design: Conversion

Algorithm for isothermal reactor design

1. Mole balance/ design equation

Batch CSTR PFR

2. Rate law

3. Stoichiometry
Batch Flow system

4. Combine (PFR, first order, )

5. Evaluation

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

※ Batch system

, ,

◎ Constant V ◎ Variable V

=>

for constant T and P

※ CSTR

◎ Constant v ◎ Variable v

for constant T and P

=>

※ PFR

, ,

◎ Constant v ◎ Variable v

for constant T and P

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Batch system constant volume V=V0


◎ 1st-order reaction, ◎ 2nd-order reaction,

‧The solution can be expressed as

※ Reversible reaction

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Batch system variable volume V ≠ V0

◎ 1st-order reaction, ◎ 2nd-order reaction,

◎ For gas phase reaction, , under the same conditions, the conversions of both the

constant-V or constant-P batch reactors are the same.

.Constant-V batch reactor (1) .Constant-P batch reactor (2)

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

CSTR constant volumetric flow rate v = v0

=>

◎ 1st-order reaction, ◎ 2nd-order reaction,

※ Da (Damköhler number)
the ratio of the reaction rate of A to the rate of convective transport
of A at the entrance to the reactor.

◎ 1st-order reaction ◎ 2nd-order reaction

=>

CSTR variable volumetric flow rate v ≠ v0

◎ 1st-order reaction ◎ 2nd-order reaction

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

CSTRs in series
※ different size CSTRs (v=v0)

◎ If we know v0, CA0, V1, V2…Vn , ◎ If we know v0,CA0, CA1,…CAn ,


CAn、XAn= ? Vn = ?

※ for 1st-order reaction, v=v0 , 2 CSTRs in series

If “ n ” equal-sized CSTRs in series, τ1 = τ2 =…= τn and k1 = k2 =…= kn due to the same operating
temperature.

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

※ The minimum volume of two CSTRs in series.


A max. when

◎ For 1st order-reaction, V1 = V2 is the best choice. (analytic solutions)

.For n > 1, the smaller CSTR should come first;


for n < 1, the larger one comes first.
.Actually, the difference in the final conversions is small.
.Overall economic consideration would nearly always
recommend using equal-size CSTRs.

※ Best arrangement of a set of ideal reactors


.For a reaction whose rate-concentration curve rises monotonically (n > 0), the reactors
should be connected in series.
.If n > 1, the conc. of reactant as high as possible. => PFR + small CSTR + large CSTR
.If n < 1, the conc. of reactant as low as possible. => large CSTR + small CSTR + PFR

◎ For the 2nd order (n > 1) reaction,

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

CSTRs in parallel

◎ If equal-sized tanks, identical feed rates and at the same operation temperature,
the conversion for n CSTR in parallel with V/n is identical to one larger CSTR with V.

FA0 : overall molar flow rate


FA0,i : molar flow rate for each CSTR
V : total volume of all CSTRs
Vi : each CSTR volume

◎ For a 1st-order liquid reaction, n-equal sized reactors could be set in series or parallel,
which configuration will give a higher conversion?

PFRs in series and in parallel

(V1+V2) in series = (V1+V2) in parallel => XA2, in series = X A2, in parallel

PFRs in parallel

◎ For a 1st-order reaction, two PFR reactors are arranged in parallel.


Determine the flow fraction to obtain the highest conversion.

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

PFR constant volumetric flow rate v = v0 , constant T, P (liquid phase)

◎ 1st-order reaction, ◎ 2nd-order reaction,

※ ∞ CSTRs with equal-size in series = PFR

PFR variable volumetric flow rate v≠ v0 , constant T, P (gas phase with ε ≠ 0)

◎ 1st-order reaction, ◎ 2nd-order reaction,

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

CSTR vs. PFR

※ Da (Damköhler number)

2nd order

1st order

1-XA

※ CSTR in series

◎ 1st order reaction ◎ 2nd order reaction

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Recycle reactors Applied in autocatalytic reaction

◎ ε = 0 ( v3 = v0 ), and steady-state.

expressed as CA

◎ ε ≠ 0 and steady-state. expressed as X

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Autocatalytic reactions

A chemical reaction in which a product (or a reaction intermediate) also acts as a catalyst.
The rate of reaction is often found to increase with time from its initial value.

◎ Low conversion, CSTR is preferred ◎ High conversion, PFR is preferred.

※ in a batch reactor, and initial conc.

Order-shifting reactions
in a batch reactor,

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Ch.5 Isothermal Reactor Design: Conversion Chemical Reaction Engineering 2025

Pressure drop in PBR

∙ In PBR, flow of fluids through packed beds is accompanied by substantial pressure drop.
∙ For liquid-phase reactions, small changes in pressure don’t affect conc. and reaction rates.
∙ For gas-phase reactions, the concentrations are a function of pressure. Reduction in pressure
implies reduction in concentrations and thus a reduction in reaction rates.
For ideal gas

※ in PBR, isothermal reaction, no volume change

2 variables, only 1 ODE => need

* Using Ergun eq. and =>

Mass balance

change with

=> solve 2 ODEs

* If ε = 0, T = T0 , integrate => =>

=>

=>

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Common questions

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For reactions where n > 1, reactors should be connected in series to maintain a high concentration of reactants. This configuration typically involves a Plug Flow Reactor (PFR) followed by a small Continuous Stirred-Tank Reactor (CSTR) and then a larger CSTR. Conversely, for n < 1, maintaining a lower reactant concentration is optimal, which is achieved by starting with a large CSTR, followed by a small CSTR, and then a PFR . These arrangements allow for optimal use of the reactors in accordance with the reaction kinetics, enhancing conversion efficiency by maintaining favorable concentration profiles for the respective reaction orders .

Recycle reactors are particularly advantageous in autocatalytic reactions, where a reaction product also acts as a catalyst, thus accelerating the reaction rate as conversion proceeds. In such scenarios, recycling can enhance the concentration of the catalytic product, thereby boosting the rate of reaction and increasing overall efficiency and conversion. These reactors allow for improved control over reactant concentrations, making them particularly useful when high conversion is required, or when the reaction benefits from increased autocatalytic effects . They are preferred especially at high conversion rates where maintaining the reaction speed is essential to process effectiveness .

The Damköhler number (Da) is a dimensionless number that represents the ratio of the reaction rate to the convective transport rate of a species. In the context of CSTRs and PFRs, for first-order reactions where Da is critical, high Da values indicate that reaction rates dominate over mass transport, making PFR more efficient as it allows for higher conversion by maintaining gradient-driven flow. Conversely, CSTRs are less efficient when Da is high due to back-mixing, which diminishes conversion efficiency . For a 2nd-order reaction, high Da also implies enhanced reactivity, favoring a PFR configuration which consistently moves towards complete conversion .

Designing isothermal reactors under variable volumetric flow rates necessitates a focus on maintaining optimal reaction conditions through precise control of flow rates and kinetics. Important considerations include the ability to adjust residence time dynamically, ensuring complete reactions as conditions change. For PFRs, keeping a high flow rate with continuous concentration gradient adaptation is crucial. For CSTRs, adjusting inflow accordingly helps maintain steady state and maximize conversion. Furthermore, strategic placement of mixing and control mechanisms aids in ensuring uniform reaction conditions despite volumetric variability . Efficient heat transfer, accurate monitoring, and feedback systems are also pivotal in maintaining desired temperature and conversion efficiency .

For CSTRs arranged in series, the design focuses on maximizing conversion through sequential processing, leveraging the gradation of concentration decrease across each reactor, which is highly effective for reactions benefiting from higher starting concentrations. Each reactor in series potentially supports different conditions, with considerable volumetric precision. In contrast, CSTRs in parallel must uniformly split the incoming feed, emphasizing consistent flow distribution and identical reaction conditions across all units. This ensures homogeneous conversion rates akin to a single larger reactor, which can be more efficient for single-phase liquid reactions at steady state . Volume considerations in parallel setups balance the need for symmetry and flow equilibrium, while series configurations prioritize cumulative conversion improvements across multiple stages .

The mole balance is foundational to the algorithm for designing isothermal reactors as it ensures that the mass of the reactants is continuously accounted for throughout the reaction process, thereby allowing accurate modeling of conversion rates and predicting reactor performance. It combines with the rate law and stoichiometry to define the reactor design equation, essential for establishing the reactor's dimensions and operating conditions needed to achieve desired conversion. This integrative approach is critical for ensuring that reactors are designed efficiently, converting all available reactants at optimal rates while maintaining isothermal conditions . Proper mole balance directly impacts conversion efficiency and capacity utilization, making it a pivotal element in reactor performance optimization .

For first-order liquid reactions, the choice between serial and parallel reactor configurations depends on the desired conversion efficiency and process constraints. In series, reactors enhance conversion by allowing sequential concentration decreases, which is beneficial for first-order kinetics as each reactor in series sees a progressively lower concentration of reactant, increasing overall conversion. In parallel configurations, each reactor receives identical feeds, and conversion depends on achieving high flow rates through each unit, matching the performance of a single larger reactor with equivalent total volume V . The serial configuration generally yields higher conversions due to the cumulative effect of consecutive reactions .

In a constant volume batch reactor under isothermal conditions, a first-order reaction proceeds with a rate proportional to the concentration of the reactant, leading to a logarithmic decay in concentration over time. In contrast, a second-order reaction depends on the square of the reactant concentration, resulting in a linear decrease in reciprocal concentration with time. This difference in kinetic equations reflects how first-order reactions approach completion more gradually compared to the more rapid and steep initial conversion increases seen in second-order reactions .

The economic considerations for reactor size and sequence focus on minimizing total volume and operational costs while maximizing efficiency and conversion. For CSTRs in series handling first-order reactions, equal-sized reactors are often preferred due to their balance of performance and cost-effectiveness, as they simplify design and operation while maintaining high conversion efficiency. Although larger initial reactors can provide better initial conversion, economic analysis nearly always favors uniformity in size, mitigating the complexity and cost of uneven reactor sizes and maximizing the use of available space and resources effective .

In a Packed Bed Reactor (PBR) handling gas-phase reactions, pressure significantly influences both concentration and reaction rate. A reduction in pressure leads to a decrease in reactant concentration, directly decreasing the reaction rate due to the relationship described by the ideal gas law. This is critical as PBRs often experience pressure drops due to fluid flow through packed beds, which can reduce overall efficiency by decreasing reaction rates downstream . For gas-phase isothermal reactions, maintaining pressure is thus vital to sustaining desired conversion efficiencies and reaction dynamics .

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