Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Catalysis

Catalysis

The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.

Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation

Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation

Unlike the easy catalytic hydrogenation of an alkene double bond, hydrogenation of a benzene double bond under similar reaction conditions does not take place easily. For example, in the reduction of stilbene, the benzene ring remains unaffected while the alkene bond gets reduced. Hydrogenation of an alkene double bond is exothermic and a favorable process. In contrast, to hydrogenate the first unsaturated bond of benzene, an energy input is needed; that is, the process is endothermic. This is...

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.

Carboxylic Acids to Methylesters: Alkylation using Diazomethane

Carboxylic Acids to Methylesters: Alkylation using Diazomethane

Carboxylic acids react with diazomethane in an ether solvent via alkylation at the carboxylate oxygen atom to give methyl esters of the corresponding acid with excellent yields.

Newman Projections

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...

Radical Anti-Markovnikov Addition to Alkenes: Thermodynamics

Radical Anti-Markovnikov Addition to Alkenes: Thermodynamics

The anti-Markovnikov addition of hydrogen halides to an alkene is thermodynamically feasible only with HBr. The radical addition reaction with other hydrogen halides like HCl and HI is thermodynamically unfavorable.

You might also read

Related Articles

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

Sort by

Same author

Non-equilibrium reducing flame aerosol process to create supported high-entropy alloy nanoparticles.

Nature communications·2026

Same author

Multifunctional ligand engineering for pure-blue halide perovskite nanocrystal LEDs.

Light, science & applications·2026

Same author

Non-Equilibrium Synthesis Methods to Create Metastable and High-Entropy Nanomaterials.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2026

Same author

Computational Kinetics for Sequential Addition of OH Radicals and Molecular Oxygen Relevant to Combustion of Methyl Methacrylate.

The journal of physical chemistry. A·2026

Same author

A poly(3-methylthiophene)/borophene hybrid for tartaric acid detection.

RSC advances·2025

Same author

High-entropy nanomaterials by candlelight.

Nature chemistry·2025

Search research articles

Related Experiment Video

Updated: Dec 20, 2025

Evaluation of Integrated Anaerobic Digestion and Hydrothermal Carbonization for Bioenergy Production

Evaluation of Integrated Anaerobic Digestion and Hydrothermal Carbonization for Bioenergy Production

Published on: June 15, 2014

Graph Theory Model of Dry Reforming of Methane Using Rh(111).

Eric A Walker^1,2, Mohammad Moein Mohammadi¹, Mark T Swihart^1,3

¹Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States.

The Journal of Physical Chemistry Letters

|May 28, 2020

Summary

Graph theory rapidly approximates adsorption energies for dry reforming of methane (DRM) on Rh(111). This method, using atomic descriptors, predicts energies for numerous intermediates, complementing DFT calculations.

More Related Videos

Methane Hydrate Crystallization on Sessile Water Droplets

Methane Hydrate Crystallization on Sessile Water Droplets

Published on: May 26, 2021

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample

Published on: March 21, 2016

Related Experiment Videos

Last Updated: Dec 20, 2025

Evaluation of Integrated Anaerobic Digestion and Hydrothermal Carbonization for Bioenergy Production

Evaluation of Integrated Anaerobic Digestion and Hydrothermal Carbonization for Bioenergy Production

Published on: June 15, 2014

Methane Hydrate Crystallization on Sessile Water Droplets

Methane Hydrate Crystallization on Sessile Water Droplets

Published on: May 26, 2021

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample

Published on: March 21, 2016

Area of Science:

Catalysis
Materials Science
Computational Chemistry

Background:

Dry reforming of methane (DRM) is crucial for converting greenhouse gases.
Understanding intermediate adsorption on catalysts like Rh(111) is key to optimizing DRM.
Density Functional Theory (DFT) calculations are computationally expensive for complex reaction networks.

Purpose of the Study:

To approximate adsorption energies of DRM intermediates on Rh(111) using graph theory.
To develop a rapid and interpretable method for predicting adsorption energies.
To supplement DFT calculations for a broader analysis of the DRM reaction system.

Main Methods:

Utilized graph theory to create descriptors for DRM intermediates.
Descriptors encode elemental identities, and neighbor/next-nearest neighbor information.
Combined graph theory predictions with a subset of DFT-calculated adsorption energies.

Main Results:

Graph theory provided rapid approximations of adsorption energies.
Descriptors proved human and machine interpretable.
Successfully predicted adsorption energies for a significant number of adsorbates.

Conclusions:

Graph theory is a viable and efficient approach for modeling complex catalytic reactions like DRM.
This method can accelerate the discovery and optimization of catalysts.
The approach offers a scalable alternative to traditional computational methods for large systems.