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

Relative Stabilities of Alkenes01:59

Relative Stabilities of Alkenes

The relative stability of alkenes can be determined by comparing their heats of hydrogenation. The lower heat of hydrogenation indicates the more stable alkene.  The three main factors determining the relative stability of alkenes are i) the number of substituents attached to the double-bond carbon atoms, ii) hyperconjugation, and iii) the stereochemistry of the double bond.
Stability of Substituted Cyclohexanes02:30

Stability of Substituted Cyclohexanes

This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
Conformations of Butane02:20

Conformations of Butane

Unlike ethane and propane that have only two major conformations, butane has more than two conformers. The staggered form of butane in which the bulky methyl groups on the two carbons are placed on opposite sides, that is, at a dihedral angle of 180°, is the lowest energy, most stable form — called the anti conformer. This conformation is stabilized due to the absence of steric repulsion between the largely spaced out methyl groups. The other two staggered conformations are degenerate and have...
Stability of Conjugated Dienes01:28

Stability of Conjugated Dienes

Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes02:14

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes

The low reactivity in alkanes can be attributed to the non-polar nature of C–C and C–H σ bonds. Alkanes, therefore, were  initially termed as “paraffins,” derived from the Latin words: parum, meaning “too little,” and affinis, meaning “affinity.”
Alkanes undergo combustion in the presence of excess oxygen and high-temperature conditions to give carbon dioxide and water. A combustion reaction is the energy source in natural gas, liquified petroleum gas (LPG), fuel oil, gasoline, diesel fuel, and...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...

You might also read

Related Articles

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

Sort by
Same author

Tritium internal dose estimation from measurements with liquid scintillators.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine·2018
Same author

[Open-wedge osteotomy of the glenoid for treatment of posterior shoulder instability with increased glenoid retroversion].

Operative Orthopadie und Traumatologie·2016
Same author

Measurement of the Difference of Time-Integrated CP Asymmetries in D^{0}→K^{-}K^{+} and D^{0}→π^{-}π^{+} Decays.

Physical review letters·2016
Same author

Claims Data Analysis on the Annual Frequency and Incremental Cost of Reoperations in Instrumental Spinal Surgeries in Germany.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016
Same author

Cost Comparison of Surgical and Non-Surgical Treated Lumbar Spinal Stenosis Patients.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016
Same author

Burden of Disease Caused by Influenza in Germany - A Retrospective Claims Database Analysis.

Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research·2016

Related Experiment Video

Updated: May 10, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Stability limits of n-nonane calculated from molecular dynamics interface simulations.

S Braun1, A R Imre, T Kraska

  • 1Institute for Physical Chemistry, University Cologne, Luxemburger Str. 116, 50939 Köln, Germany.

The Journal of Chemical Physics
|July 5, 2013
PubMed
Summary

Molecular dynamics simulations estimate the thermodynamic spinodal for n-nonane, confirming its stability limit data aligns with experimental n-alkane series. Molecular shape does not impact this prediction method.

More Related Videos

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Related Experiment Videos

Last Updated: May 10, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Area of Science:

  • Thermodynamics
  • Computational Chemistry
  • Physical Chemistry

Background:

  • Estimating the thermodynamic spinodal, or limit of superheat/supercooling, is crucial for understanding fluid phase stability.
  • Previous methods often assume spherical molecular symmetry, potentially limiting applicability to real-world molecules.

Purpose of the Study:

  • To estimate the classical thermodynamic spinodal for n-nonane using molecular dynamics simulations.
  • To investigate if molecular shape deviation from spherical symmetry impacts stability limit predictions.
  • To validate the transferability of interface properties to bulk phase stability limits.

Main Methods:

  • Utilizing molecular dynamics (MD) simulations of the vapor-liquid interface for n-nonane.
  • Applying a previously established method for estimating the thermodynamic spinodal from simulation data.
  • Comparing simulation results with experimental data for n-alkanes.

Main Results:

  • The estimated thermodynamic spinodal for n-nonane is consistent with available experimental data for n-alkanes.
  • The method successfully predicts stability limit data, even for a non-spherical molecule like n-nonane.
  • Observed molecular alignment parallel to the interface did not affect the prediction accuracy.

Conclusions:

  • The employed method for estimating the thermodynamic spinodal is robust and applicable to non-spherical molecules.
  • Molecular alignment at the interface does not interfere with predicting bulk phase stability limits.
  • This study validates the simulation-based approach for determining fluid phase stability limits.