Initial Reactant Concentration for First Order Reaction using Reaction Rate Calculator

Formula Used:

\[ C_o = \frac{t_{rC2}' \times r_i}{X_{i-1} - X_i} \]

Adjusted Retention Time of Comp 2:

seconds

Reaction Rate for Vessel i:

mol/m³·s

Reactant Conversion of Vessel i-1:

Reactant Conversion of Vessel i:

Initial Reactant Concentration (mol/m³):

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1. What is Initial Reactant Concentration for First Order Reaction?

Definition: This calculator determines the initial concentration of reactants needed for a first-order chemical reaction based on retention time, reaction rate, and conversion percentages.

Purpose: It helps chemical engineers and researchers determine the appropriate starting concentration for reaction vessels in series.

2. How Does the Calculator Work?

The calculator uses the formula:

\[ C_o = \frac{t_{rC2}' \times r_i}{X_{i-1} - X_i} \]

Where:

\( C_o \) — Initial reactant concentration (mol/m³)
\( t_{rC2}' \) — Adjusted retention time of component 2 (seconds)
\( r_i \) — Reaction rate for vessel i (mol/m³·s)
\( X_{i-1} \) — Reactant conversion in previous vessel (decimal)
\( X_i \) — Reactant conversion in current vessel (decimal)

Explanation: The formula calculates the initial concentration needed to achieve the desired conversion difference between consecutive reaction vessels.

3. Importance of Initial Concentration Calculation

Details: Accurate initial concentration estimation ensures proper reaction kinetics, optimal vessel sizing, and efficient process design.

4. Using the Calculator

Tips: Enter the adjusted retention time, reaction rate, and conversion percentages for consecutive vessels. Conversion values must be between 0 and 1 and not equal.

5. Frequently Asked Questions (FAQ)

Q1: What is adjusted retention time?
A: It's the retention time minus the time taken by the mobile phase to travel through the column.

Q2: How do I determine the reaction rate?
A: The reaction rate can be determined experimentally or from kinetic studies of the specific reaction.

Q3: Why must the conversion values be different?
A: The formula involves division by the conversion difference, so identical values would result in division by zero.

Q4: Can this be used for batch reactors?
A: This formula is primarily for continuous flow reactors with vessels in series.

Q5: What units should I use?
A: Use consistent units: seconds for time, mol/m³·s for reaction rate, and mol/m³ for concentration.