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

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...
Second Law of Thermodynamics02:49

Second Law of Thermodynamics

In the quest to identify a property that may reliably predict the spontaneity of a process, a promising candidate has been identified: entropy. Processes that involve an increase in entropy of the system (ΔS > 0) are very often spontaneous; however, examples to the contrary are plentiful. By expanding consideration of entropy changes to include the surroundings, a significant conclusion regarding the relation between this property and spontaneity may be reached. In thermodynamic models, the...
Second Law of Thermodynamics00:53

Second Law of Thermodynamics

The Second Law of Thermodynamics states that entropy, or the amount of disorder in a system, increases each time energy is transferred or transformed. Each energy transfer results in a certain amount of energy that is lost—usually in the form of heat—that increases the disorder of the surroundings. This can also be demonstrated in a classic food web. Herbivores harvest chemical energy from plants and release heat and carbon dioxide into the environment. Carnivores harvest the chemical energy...
Entropy02:39

Entropy

Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
Entropy01:18

Entropy

The first law of thermodynamics is quantitatively formulated via an equation relating the internal energy of a system, the heat exchanged by it, and the work done on it. A quantitative formulation of the second law of thermodynamics leads to defining a state function, the entropy.
When an ideal gas expands isothermally, the disorder in the gas increases. From the molecular perspective, the gas molecules have more volume to move around in.
Consider an infinitesimal step in the expansion, which...
The Entropy as a State Function01:14

The Entropy as a State Function

Consider an arbitrary process that moves between two specific states (A and B) in a cyclic manner. This process is reversible and broken down into smaller parts that each follow a Carnot cycle. A Carnot cycle has two isothermal (constant temperature) processes. During these processes, the ratio of the amount of heat transferred to their respective temperature remains constant. The other two processes in the Carnot cycle are also reversible but adiabatic, which means they occur without any heat...

You might also read

Related Articles

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

Sort by
Same author

Sodium Silicate Grouting: Mechanisms, Environmental Impacts, and Research Directions.

Transport in porous media·2026
Same author

Mapping the Spatial Sensitivity of Aquitard Hydraulic Parameters on Pumping Test Drawdowns.

Ground water·2025
Same author

Controlling molecular machines <i>via</i> optimally oriented external electric fields.

Chemical science·2025
Same author

Theory and Examples of Catch Bonds.

The journal of physical chemistry. B·2024
Same author

Optimal Oriented External Electric Fields to Trigger a Barrierless Oxaphosphetane Ring Opening Step of the Wittig Reaction.

Chemistry (Weinheim an der Bergstrasse, Germany)·2024
Same author

An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system.

The Journal of chemical physics·2023
Same journal

OpenCafeMol With 3SPN.2 DNA Model: GPU Acceleration for Long-Time Coarse-Grained Chromatin Simulations.

Journal of computational chemistry·2026
Same journal

Nuclear Quantum Effects on the Organic Bifurcation Reaction in Microsolvated Water Clusters: Ring-Polymer Molecular Dynamics Calculations Using an Explicit Solvation Model.

Journal of computational chemistry·2026
Same journal

Computational Analysis of the (4+3) Cycloaddition Reaction of a Sulfoximine-Stabilized Oxyallylic Cation With Furan.

Journal of computational chemistry·2026
Same journal

Reaction Enumeration Based on NBO-Informed Molecular Graphs.

Journal of computational chemistry·2026
Same journal

How Do DICER1 Syndrome Mutations Disrupt Catalysis? Unveiling Dicer Metal Binding Architecture and Mechanism of Action Using MD Simulations and QM/MM Calculations.

Journal of computational chemistry·2026
Same journal

Quadruple Bonding of Alkaline Earth Atoms in AeCLi<sub>4</sub> (Ae = Be - Ba) Complexes.

Journal of computational chemistry·2026
See all related articles

Related Experiment Video

Updated: Jun 22, 2026

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data
08:12

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data

Published on: February 16, 2024

Transition state theory with Tsallis statistics.

Wolfgang Quapp1, Alraune Zech

  • 1Mathematical Institute, University of Leipzig, PF 10 09 20, D-04009 Leipzig, Germany. quapp@uni-leipzig.de

Journal of Computational Chemistry
|June 17, 2009
PubMed
Summary
This summary is machine-generated.

This study introduces Tsallis statistics to estimate chemical reaction rates, generalizing Boltzmann-Gibbs statistics. This novel approach accurately predicts reaction rates for HCN isomerization and H(2) + CN reactions.

More Related Videos

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
11:44

Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes

Published on: November 12, 2016

Related Experiment Videos

Last Updated: Jun 22, 2026

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data
08:12

An Introduction to Processing, Fitting, and Interpreting Transient Absorption Data

Published on: February 16, 2024

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
11:44

Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes

Published on: November 12, 2016

Area of Science:

  • Chemical Kinetics
  • Theoretical Chemistry
  • Statistical Mechanics

Background:

  • Chemical reaction rates are typically estimated using the Eyring theory, which relies on the properties of the transition state (TS).
  • The standard approach often assumes the TS is located at a single saddle point on the potential energy surface.
  • Limitations exist in accurately modeling complex systems with traditional statistical methods.

Purpose of the Study:

  • To propose a generalized statistical mechanics framework for estimating chemical reaction rates.
  • To introduce Tsallis statistics as an alternative to Boltzmann-Gibbs statistics for analyzing the transition state.
  • To apply this new theoretical framework to specific chemical reactions and validate its efficacy.

Main Methods:

  • Utilizing the reaction path and saddle point on the potential energy surface to define the transition state.
  • Deriving approximated partition functions based on the properties of Tsallis nonextensive thermostatistics.
  • Applying factorization approximations to the partition functions for computational feasibility.

Main Results:

  • Successfully generalized Boltzmann-Gibbs statistics using Tsallis statistics for reaction rate calculations.
  • Developed a theoretical model applicable to elementary chemical reactions.
  • Achieved good agreement between theoretical predictions and experimental estimations for reaction rates.

Conclusions:

  • Tsallis statistics offers a powerful generalization for understanding chemical reaction dynamics at the transition state.
  • The proposed method provides accurate estimations for reaction rates, demonstrating its potential in theoretical chemistry.
  • This work opens new avenues for applying nonextensive thermostatistics to chemical reaction rate theory.