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

Dynamic Equilibrium02:20

Dynamic Equilibrium

62.4K
A reversible chemical reaction represents a chemical process that proceeds in both forward (left to right) and reverse (right to left) directions. When the rates of the forward and reverse reactions are equal, the concentrations of the reactant and product species remain constant over time and the system is at equilibrium. A special double arrow is used to emphasize the reversible nature of the reaction. The relative concentrations of reactants and products in equilibrium systems vary greatly;...
62.4K
Constant Pressure Calorimetry03:02

Constant Pressure Calorimetry

97.6K
Calorimetry is a technique used to measure the amount of heat involved in a chemical or physical process or to measure the heat transferred to or from a substance. The heat is exchanged with a calibrated and insulated device called the calorimeter. Calorimetry experiments are based on the assumption that there is no heat exchange between the insulated calorimeter and the external environment. The well-insulated calorimeters prevent the transfer of heat between the calorimeter and its external...
97.6K
Constant Volume Calorimetry02:41

Constant Volume Calorimetry

30.7K
Calorimeters are useful to determine the heat released or absorbed by a chemical reaction. Coffee cup calorimeters are designed to operate at constant (atmospheric) pressure and are convenient to measure heat flow (or enthalpy change) accompanying processes that occur in solution at constant pressure. A different type of calorimeter that operates at constant volume, colloquially known as a bomb calorimeter, is used to measure the energy produced by reactions that yield large amounts of heat and...
30.7K
Calculating the Equilibrium Constant02:46

Calculating the Equilibrium Constant

37.9K
The equilibrium constant for a reaction is calculated from the equilibrium concentrations (or pressures) of its reactants and products. If these concentrations are known, the calculation simply involves their substitution into the Kc expression.
For example, gaseous nitrogen dioxide forms dinitrogen tetroxide according to this equation:
37.9K
Kinetic Molecular Theory: Molecular Velocities, Temperature, and Kinetic Energy03:07

Kinetic Molecular Theory: Molecular Velocities, Temperature, and Kinetic Energy

29.8K
The kinetic molecular theory qualitatively explains the behaviors described by the various gas laws. The postulates of this theory may be applied in a more quantitative fashion to derive these individual laws.
29.8K
The Equilibrium Constant03:10

The Equilibrium Constant

56.6K
Consider the oxidation of sulfur dioxide:
56.6K

You might also read

Related Articles

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

Sort by
Same author

Postoperative Complications and Long-Term Cardiovascular Risk After Gastrectomy for Gastric Cancer.

Annals of surgical oncology·2026
Same author

Diagnostic accuracy and safety of cone-beam computed tomography-guided percutaneous transthoracic lung biopsy: an updated systematic review and meta-analysis.

Diagnostic and interventional radiology (Ankara, Turkey)·2026
Same author

Response to a Letter to the Editor "interpreting prophylactic antibiotic use in closed basilar skull fractures: Caution in claims-based evidence".

The journal of trauma and acute care surgery·2026
Same author

Perspectives on the Impact of COVID-19 among Korean Americans with Chronic Hepatitis B: A Mixed Methods Exploration.

Journal of Asian health·2026
Same author

Engineered Salmonella delivering the NMDAR antagonist conantokin G synergizes with PD-L1 blockade to enhance colorectal cancer regression.

Experimental hematology & oncology·2026
Same author

3D-Printed Metamaterial-Based Soft Sensors: Materials, Design, and Fabrications.

Small (Weinheim an der Bergstrasse, Germany)·2026

Related Experiment Video

Updated: Jan 29, 2026

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.4K

New Method for Constant- NPT Molecular Dynamics.

Minjung Kim1, Eunji Kim1, Seunghoon Lee1

  • 1Department of Chemistry , Seoul National University , Seoul 08826 , South Korea.

The Journal of Physical Chemistry. A
|February 5, 2019
PubMed
Summary

This study introduces a novel molecular dynamics simulation algorithm. It preserves molecular dynamics by coupling only boundary molecules to thermostats and barostats, avoiding artifacts in dynamic properties.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.4K
Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

2.3K

Related Experiment Videos

Last Updated: Jan 29, 2026

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy
08:10

Molecular Spring Constant Analysis by Biomembrane Force Probe Spectroscopy

Published on: November 20, 2021

3.4K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.4K
Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

2.3K

Area of Science:

  • Computational Chemistry
  • Molecular Dynamics Simulations
  • Statistical Mechanics

Background:

  • Standard molecular dynamics (MD) methods for constant Number of particles, Pressure, and Temperature (NPT) ensembles, like Andersen-Nosé-Hoover, can modify molecular dynamic properties.
  • This alteration arises from the coupling of equations of motion with thermostat and barostat, introducing artifacts.
  • A need exists for MD simulation techniques that accurately represent molecular dynamics without introducing artificial changes.

Purpose of the Study:

  • To develop a new molecular dynamics simulation algorithm that circumvents artifacts in constant-NPT ensemble simulations.
  • To preserve the intrinsic dynamic properties of molecules of interest during simulations.
  • To provide a more accurate computational method for studying molecular behavior under specific thermodynamic conditions.

Main Methods:

  • Proposed a novel MD simulation algorithm where only molecules near the simulation box walls are coupled to the thermostat and barostat.
  • Molecules of interest are placed in the inner part of the simulation box, remaining uncoupled to external thermodynamic controls.
  • Tested the algorithm's efficiency in achieving target temperature and pressure and validated its accuracy against standard NPT ensemble systems.

Main Results:

  • The proposed algorithm effectively attains the target temperature and pressure.
  • Calculated equilibrium properties show conformity with standard constant-NPT ensemble systems.
  • Dynamic properties of the inner molecules remain intact, demonstrating the algorithm's success in circumventing artifacts.

Conclusions:

  • The new molecular dynamics simulation algorithm successfully preserves the dynamic properties of molecules of interest.
  • This method offers a viable alternative to traditional NPT ensemble simulations, avoiding artifacts introduced by thermostat/barostat coupling.
  • The algorithm is efficient and accurate for simulating systems requiring precise dynamic property calculations.