Concentration of Radical in Non-Stationary Chain Reactions Calculator

Concentration of Radical Formula:

\[ [R]_{nonCR} = \frac{k_1 \times [A]}{-k_2 \times (\alpha - 1) \times [A] + (k_w + k_g)} \]

Reaction Rate Constant for Initiation Step (k₁):

m³/(mol·s)

Concentration of Reactant A ([A]):

mol/m³

Reaction Rate Constant for Propagation Step (k₂):

m³/(mol·s)

No. of Radicals Formed (α):

Rate Constant at Wall (k_w):

1/s

Rate Constant within Gaseous Phase (k_g):

1/s

Concentration of Radical [R]_nonCR:

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1. What is Concentration of Radical in Non-Stationary Chain Reactions?

Definition: This calculator estimates the concentration of radicals in non-stationary chain reactions based on reaction rate constants, reactant concentration, and other parameters.

Purpose: It helps chemical engineers and researchers determine radical concentrations in complex chain reaction systems.

2. How Does the Calculator Work?

The calculator uses the formula:

\[ [R]_{nonCR} = \frac{k_1 \times [A]}{-k_2 \times (\alpha - 1) \times [A] + (k_w + k_g)} \]

Where:

\( [R]_{nonCR} \) — Concentration of radical (mol/m³)
\( k_1 \) — Reaction rate constant for initiation step (m³/(mol·s))
\( [A] \) — Concentration of reactant A (mol/m³)
\( k_2 \) — Reaction rate constant for propagation step (m³/(mol·s))
\( \alpha \) — Number of radicals formed
\( k_w \) — Rate constant at wall (1/s)
\( k_g \) — Rate constant within gaseous phase (1/s)

Explanation: The formula accounts for radical formation, propagation, and termination processes in non-stationary chain reactions.

3. Importance of Radical Concentration Calculation

Details: Accurate radical concentration estimation is crucial for understanding reaction kinetics, predicting product yields, and ensuring safe operation of chemical processes.

4. Using the Calculator

Tips: Enter all required parameters with appropriate units. Default values are provided based on typical experimental conditions.

5. Frequently Asked Questions (FAQ)

Q1: What are non-stationary chain reactions?
A: These are chain reactions where radical concentrations change with time, unlike stationary reactions where concentrations remain constant.

Q2: How do I determine the rate constants?
A: Rate constants are typically determined experimentally or through computational chemistry methods.

Q3: What affects the number of radicals formed (α)?
A: This depends on the specific reaction mechanism and the types of radicals involved in the propagation steps.

Q4: Why include wall and gas phase rate constants?
A: These account for different termination pathways - at reactor walls and in the gas phase.

Q5: What if I get negative or extremely large values?
A: Check your input parameters. Negative values may indicate physically unrealistic conditions.