Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

The Integrated Rate Law: The Dependence of Concentration on Time02:39

The Integrated Rate Law: The Dependence of Concentration on Time

While the differential rate law relates the rate and concentrations of reactants, a second form of rate law called the integrated rate law relates concentrations of reactants and time. Integrated rate laws can be used to determine the amount of reactant or product present after a period of time or to estimate the time required for a reaction to proceed to a certain extent. For example, an integrated rate law helps determine the length of time a radioactive material must be stored for its...
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 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...
Temperature Dependence on Reaction Rate02:55

Temperature Dependence on Reaction Rate

The Collision Theory
Atoms, molecules, or ions must collide before they can react with each other. Atoms must be close together to form chemical bonds. This premise is the basis for a theory that explains many observations regarding chemical kinetics, including factors affecting reaction rates.
The collision theory is based on the postulates that (i) the reaction rate is proportional to the rate of reactant collisions, (ii) the reacting species collide in an orientation allowing contact between...
Reaction Mechanisms: The Steady-State Approximation01:26

Reaction Mechanisms: The Steady-State Approximation

The steady-state approximation, also referred to as the quasi-steady-state approximation to differentiate it from a true steady state, is a widely used method for simplifying calculations in complex reaction mechanisms. This approach is particularly useful when dealing with multi-step reactions that involve reverse reactions or several steps, which can significantly increase mathematical complexity and make the reactions nearly unsolvable analytically.The steady-state approximation operates on...
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...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Ontological differentiation as a measure of semantic accuracy.

Physical review. E·2026
Same author

Dynamical localization in nonideal kicked rotors driven by two competing pulsatile modulations.

Physical review. E·2024
Same author

Using Lagrangian descriptors to calculate the Maslov index of periodic orbits.

Physical review. E·2024
Same author

Using reservoir computing to construct scarred wave functions.

Physical review. E·2024
Same author

Disentangling Jenny's equation by machine learning.

Scientific reports·2023
Same author

Binding affinity predictions with hybrid quantum-classical convolutional neural networks.

Scientific reports·2023

Related Experiment Video

Updated: May 21, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
09:42

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

Reaction rate calculation with time-dependent invariant manifolds.

Thomas Bartsch1, F Revuelta, R M Benito

  • 1Department of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, United Kingdom.

The Journal of Chemical Physics
|June 21, 2012
PubMed
Summary

Researchers developed a method to identify chemical reaction trajectories using invariant surfaces. This approach avoids complex simulations by locating surfaces that separate reactive from nonreactive paths, simplifying reaction rate calculations.

More Related Videos

Determination of the Photoisomerization Quantum Yield of a Hydrazone Photoswitch
09:33

Determination of the Photoisomerization Quantum Yield of a Hydrazone Photoswitch

Published on: February 7, 2022

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates
06:48

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates

Published on: January 5, 2024

Related Experiment Videos

Last Updated: May 21, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
09:42

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

Published on: January 16, 2016

Determination of the Photoisomerization Quantum Yield of a Hydrazone Photoswitch
09:33

Determination of the Photoisomerization Quantum Yield of a Hydrazone Photoswitch

Published on: February 7, 2022

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates
06:48

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates

Published on: January 5, 2024

Area of Science:

  • Chemical Dynamics
  • Theoretical Chemistry
  • Statistical Mechanics

Background:

  • Classical chemical reactivity calculations often require computationally intensive simulations, especially for systems influenced by a heat bath.
  • Identifying trajectories crucial for reaction rates is a key challenge in understanding chemical dynamics.

Purpose of the Study:

  • To propose an efficient alternative to full numerical simulations for calculating reaction rates.
  • To introduce the computation and application of invariant surfaces in phase space for chemical reactivity.
  • To enable exact reaction rate calculations in multidimensional potentials coupled to noisy environments.

Main Methods:

  • Computing invariant surfaces (manifolds) in the phase space of reactive systems.
  • Utilizing these surfaces to distinguish between reactive and nonreactive trajectories.
  • Applying perturbation theory for formally exact reaction rate calculations.

Main Results:

  • Invariant surfaces effectively separate reactive from nonreactive trajectories.
  • The location of these manifolds depends on time and the influence of the heat bath.
  • Reactive trajectories can be identified solely from initial conditions using these manifolds.

Conclusions:

  • Invariant surfaces provide an efficient method for analyzing chemical reactivity.
  • This approach simplifies reaction rate calculations by eliminating the need for extensive simulations.
  • The method is applicable to complex, multidimensional potentials interacting with noisy environments.