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Related Concept Videos

Reaction Rate02:53

Reaction Rate

The rate of reaction is the change in the amount of a reactant or product per unit time. Reaction rates are therefore determined by measuring the time dependence of some property that can be related to reactant or product amounts. Rates of reactions that consume or produce gaseous substances, for example, are conveniently determined by measuring changes in volume or pressure.
The mathematical representation of the change in the concentration of reactants and products, over time, is the rate...
Concentration and Rate Law03:03

Concentration and Rate Law

The rate of a reaction is affected by the concentrations of reactants. Rate laws (differential rate laws) or rate equations are mathematical expressions describing the relationship between the rate of a chemical reaction and the concentration of its reactants.
For example, in a generic reaction aA + bB ⟶ products, where a and b are stoichiometric coefficients, the rate law can be written as:
Measuring Reaction Rates03:09

Measuring Reaction Rates

Polarimetry finds application in chemical kinetics to measure the concentration and reaction kinetics of optically active substances during a chemical reaction. Optically active substances have the capability of rotating the plane of polarization of linearly polarized light passing through them—a feature called optical rotation. Optical activity is attributed to the molecular structure of substances. Normal monochromatic light is unpolarized and possesses oscillations of the electrical field in...
Reaction Mechanisms: Rate-limiting Step Approximation01:29

Reaction Mechanisms: Rate-limiting Step Approximation

The rate-determining step, or RDS, in a chemical reaction is the slowest step that determines the overall reaction rate. It is identified by using the observed rate law and typically involves approximation methods like the RDS approximation or the steady-state approximation.In the RDS approximation, also known as the rate-limiting-step or equilibrium approximation, the reaction mechanism consists of one or more reversible reactions near equilibrium, followed by a slower RDS, and then one or...
Fast Reactions01:27

Fast Reactions

Fast reactions occurring in times shorter than the time needed to mix reactants pose a unique challenge for investigation. In a liquid-phase continuous-flow system, reactants A and B are swiftly pushed into the mixing chamber, where mixing occurs within 1 ms. The reaction mixture then flows through an observation tube, and one measures light absorption to determine species concentrations at various points of the tube. This method is most appropriate when relatively large volumes of reactants...
Transition State Theory01:25

Transition State Theory

Transition-state theory, also known as activated-complex theory, provides a molecular-level explanation of reaction rates in both gas-phase and solution-phase reactions. It extends earlier kinetic models by considering the formation of a short-lived, high-energy configuration during a reaction.The progress of a chemical reaction can be represented using a reaction profile, which plots potential energy against the reaction coordinate. As two reactant molecules approach one another, their...

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Related Experiment Video

Updated: Jul 18, 2026

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
11:54

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles

Published on: June 25, 2018

Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp

Titus S van Erp1

  • 1Centrum voor Oppervlaktechemie en Katalyse, K.U. Leuven, Kasteelpark Arenberg 23, B-3001 Leuven, Belgium. titus.vanerp@biw.kuleuven.be

The Journal of Chemical Physics
|November 15, 2006
PubMed
Summary

We analyzed reaction rate calculation methods for chemical systems. Path sampling methods, like transition interface sampling, are more efficient than free energy methods when using non-optimal reaction coordinates.

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Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

Area of Science:

  • Computational Chemistry
  • Chemical Kinetics

Background:

  • Calculating reaction rates is crucial in chemistry.
  • Existing methods have limitations in efficiency and applicability.

Purpose of the Study:

  • To compare the efficiency of different reaction rate calculation methods.
  • To provide scaling rules and optimization strategies for these methods.

Main Methods:

  • Analysis of a 2D analytical benchmark system.
  • Comparison of free energy-based methods (with transmission coefficient) and dynamical pathway sampling methods (transition interface sampling).

Main Results:

  • Efficiency depends on barrier height and width.
  • Path sampling methods outperform others with non-optimal reaction coordinates.
  • Optimization rules for method-specific parameters were derived.

Conclusions:

  • Transition interface sampling offers superior efficiency in specific scenarios.
  • Understanding method-specific parameter dependencies is key for accurate rate calculations.