Unit 5: Chemical Kinetics

Reaction Rates

  1. What is a Reaction Rate?

    • The reaction rate measures how quickly reactants are converted into products over time.

    • Usually expressed as a change in concentration of a substance (Δ) per unit time (Δt).

  2. Instantaneous Reaction Rate:

    • The rate of a reaction at a specific moment in time.

    • Calculated using the slope of the tangent to the concentration vs. time graph at that point.

    1. Reaction Rate Expression:

      • Key Points:

        • Reactants have negative rates because their concentrations decrease.

        • Products have positive rates because their concentrations increase.

        • The rate of change for all species (reactants and products) is proportional.


Introduction to Rate Law

  1. Definition:

    • A rate law expresses how the reaction rate depends on the concentration of reactants.

    • General form: Rate=k[A]^m[B]^n

      • k: Rate constant (depends on temperature).

      • [A],[B]: Concentrations of reactants.

      • m, n: Reaction orders (must be determined experimentally).

  2. Reaction Order:

    • The sum of exponents m+nm + nm+n in the rate law determines the overall reaction order.

  3. Determining Rate Law:

    • Only experimental data can determine the exact rate law and reaction orders.

    • Use initial rates or concentration-time data to calculate m, n, k


Concentration Changes Over Time

  1. Graphical Analysis:

    • The effect of concentration on reaction rate can be visualized in a concentration vs. time graph:

      • Steeper slope: Faster reaction (higher initial concentration of reactants).

      • Shallower slope: Slower reaction as reactants are consumed.


Collision Theory

  1. Definition:

    • Chemical reactions occur when reactant particles collide effectively.

  2. Requirements for an Effective Collision:

    • Orientation: Particles must collide in the correct orientation to break and form bonds.

    • Collision Energy: Particles must have enough kinetic energy to overcome the activation energy (Ea​).

  3. Factors Affecting Reaction Rate:

    • Surface Area: Increased surface area allows more collisions (e.g., powdered solids react faster than large chunks).

    • Temperature: Higher temperature increases particle kinetic energy and collision frequency.

    • Concentration: More particles in a given volume lead to more frequent collisions.

    • Catalyst: Lowers the activation energy (Ea) without being consumed in the reaction.


Reaction Energy Profile

  1. Reaction Coordinate Diagram:

    • Shows the energy changes during a reaction.

    • Key Features:

      • Peaks: Transition states (highest energy points).

      • Troughs: Intermediates (short-lived species between steps).

    • Activation Energy (Ea​): Energy barrier that must be overcome for the reaction to proceed.

    • Energy Change (ΔH):

      • ΔH>0: Endothermic (energy absorbed).

      • ΔH<0: Exothermic (energy released).


Reaction Mechanisms

  1. Definition:

    • A sequence of elementary steps that describe how a reaction occurs.

  2. Molecularity:

    • The number of reactant particles involved in an elementary step:

      • Unimolecular: Involves one molecule.

      • Bimolecular: Involves two molecules.

      • Termolecular: Involves three molecules (rare due to low probability).

  3. Rate-Determining Step:

    • The slowest step in the mechanism dictates the overall reaction rate.

    • The rate law is determined by the reactants in the slow step.

  4. Intermediates and Catalysts:

    • Intermediate: Formed and consumed during the reaction (does not appear in the rate law).

    • Catalyst: Introduced at the beginning, reappears at the end (lowers Ea​).


Steady-State Approximation

  1. Definition:

    • Assumes the concentration of intermediates remains constant during the reaction.

    • Used to simplify rate law expressions for multistep reactions.


Multistep Reaction Energy Profile

  1. Diagram Features:

    • Each peak represents a transition state.

    • Each trough corresponds to an intermediate.

    • The highest peak is the rate-determining step.

  2. Energy Analysis:

    • Endothermic Reaction: Products are higher in energy than reactants.

    • Exothermic Reaction: Products are lower in energy than reactants.

  3. Example:

    • For A→GA :

      • If the energy of G>AG, the reaction is endothermic.

      • If the energy of G<AG, the reaction is exothermic.