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Initial Reactant Concentration of Reactant for Strong Pore Resistance in Catalyst Deactivation Calculator

Formula Used:

\[ C_{A0} = C_{A,SP} \times e^{\left(\frac{k' \times \tau'}{MT} \times e^{\left(\frac{-k_d \times t}{2}\right)}\right)} \]

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1. What is Initial Reactant Concentration for Strong Pore Resistance?

Definition: This calculator determines the initial concentration of reactant in catalytic reactions where strong pore diffusion resistance is present, accounting for catalyst deactivation over time.

Purpose: It helps chemical engineers design and analyze catalytic reactors by estimating initial reactant concentrations under conditions of pore diffusion limitations.

2. How Does the Calculator Work?

The calculator uses the formula:

\[ C_{A0} = C_{A,SP} \times e^{\left(\frac{k' \times \tau'}{MT} \times e^{\left(\frac{-k_d \times t}{2}\right)}\right)} \]

Where:

Explanation: The formula accounts for both pore diffusion resistance and catalyst deactivation over time through nested exponential terms.

3. Importance of Initial Reactant Concentration Calculation

Details: Accurate calculation is crucial for reactor design, predicting reaction rates, and understanding catalyst performance under diffusion-limited conditions.

4. Using the Calculator

Tips: Enter all required parameters with appropriate units. Default values are provided for typical conditions, but should be adjusted for specific catalysts and reactions.

5. Frequently Asked Questions (FAQ)

Q1: What is strong pore diffusion resistance?
A: It occurs when reactant diffusion into catalyst pores is slow compared to reaction rate, creating concentration gradients within the catalyst particle.

Q2: How is the Thiele modulus determined?
A: MT is calculated from catalyst properties and reaction kinetics, typically ranging from 0.1 to 10 for significant pore diffusion effects.

Q3: What affects the rate of deactivation?
A: Catalyst poisoning, sintering, coking, and thermal degradation can all contribute to deactivation rates.

Q4: When is this calculation most important?
A: For reactions with fast kinetics using porous catalysts, where diffusion limitations significantly impact overall reaction rates.

Q5: How does space time differ from residence time?
A: Space time is based on reactor volume and inlet flow rate, while residence time accounts for actual fluid dynamics within the reactor.

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