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

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

1.7K
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
1.7K
Effects of Temperature on Free Energy02:11

Effects of Temperature on Free Energy

28.0K
The spontaneity of a process depends upon the temperature of the system. Phase transitions, for example, will proceed spontaneously in one direction or the other depending upon the temperature of the substance in question. Likewise, some chemical reactions can also exhibit temperature-dependent spontaneities. To illustrate this concept, the equation relating free energy change to the enthalpy and entropy changes for the process is considered:
28.0K
Temperature Dependence on Reaction Rate02:55

Temperature Dependence on Reaction Rate

88.6K
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...
88.6K
Body Temperature01:07

Body Temperature

1.4K
Body temperature reflects the equilibrium between heat production and heat loss within the body. Most heat is generated by metabolically active tissues, particularly the liver, heart, brain, kidneys, and endocrine organs. At rest, skeletal muscles contribute 20–30% of total heat production, but during vigorous exercise, this can increase up to 30–40 times.
The average body temperature is approximately 37°C (98.6°F) and typically ranges from 36.1–37.2°C...
1.4K
Body Temperature01:25

Body Temperature

4.1K
The body's temperature, measured in degrees, is determined by the balance between heat production and dissipation to the surrounding environment. For instance, if exercising vigorously, the body will produce more heat, causing sweat and dissipating that heat. Despite extreme environmental conditions and physical exertion, the human temperature-control system maintains a constant core body temperature (the temperature of deep tissues, which are the tissues located beneath the skin and other...
4.1K
Temperature and Thermal Equilibrium01:11

Temperature and Thermal Equilibrium

9.2K
Heat and temperature are essential concepts for everyone every day. The study of heat and temperature is part of an area of physics known as thermodynamics. It is not always easy to distinguish heat and temperature.
The concept of temperature has evolved from the common concepts of hot and cold. The scientific definition of temperature explains more than just our sense of hot and cold. Temperature is operationally defined as the quantity measured with a thermometer. Furthermore, temperature is...
9.2K

You might also read

Related Articles

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

Sort by
Same author

Community-aware sparse topology design for efficient spiking neural networks.

Scientific reports·2026
Same author

Designing Silicone-Epoxy Coatings for Outdoor Applications: Long-Term Icephobicity and UV Resistance.

ACS omega·2026
Same author

Laser-Patterned Oxidized Steel Mesh with Dual Wettability for Efficient Atmospheric Water Harvesting.

Langmuir : the ACS journal of surfaces and colloids·2026
Same author

Topology-aware design of spiking neural networks via modular graph architectures.

PloS one·2026
Same author

Different Laterality in Hereditary Monozygotic Twins with Duane Retraction Syndrome Type I: A Case Report.

Journal of binocular vision and ocular motility·2026
Same author

Plasma-Driven Surface Functionalization: Enhancing the Corrosion Resistance of Aluminum via Atmospheric-Pressure Treatment.

Materials (Basel, Switzerland)·2026

Related Experiment Video

Updated: Jan 23, 2026

Simulating Temperature in a Soil Incubation Experiment
08:39

Simulating Temperature in a Soil Incubation Experiment

Published on: October 28, 2022

3.5K

Local temperature versus system temperature in a simulation experiment containing water molecules.

Reza Jafari1, Beheshteh Sohrabi

  • 1Department of Chemistry, Surface Chemistry Research Laboratory, Iran University of Science and Technology, P.O. Box 16846-13114, Tehran, Iran. Sohrabi_b@iust.ac.ir Sohrabi_b@yahoo.com.

Physical Chemistry Chemical Physics : PCCP
|June 6, 2019
PubMed
Summary

Accurate water simulations require accounting for local temperature effects, not just system temperature. This study introduces a method using water's self-diffusion coefficient to determine local temperature, improving physical property predictions.

More Related Videos

Author Spotlight: Simulation and Analysis of the Temperature Rise of Ring Main Unit Equipment
04:35

Author Spotlight: Simulation and Analysis of the Temperature Rise of Ring Main Unit Equipment

Published on: July 5, 2024

2.4K
High-pressure, High-temperature Deformation Experiment Using the New Generation Griggs-type Apparatus
12:30

High-pressure, High-temperature Deformation Experiment Using the New Generation Griggs-type Apparatus

Published on: April 3, 2018

19.4K

Related Experiment Videos

Last Updated: Jan 23, 2026

Simulating Temperature in a Soil Incubation Experiment
08:39

Simulating Temperature in a Soil Incubation Experiment

Published on: October 28, 2022

3.5K
Author Spotlight: Simulation and Analysis of the Temperature Rise of Ring Main Unit Equipment
04:35

Author Spotlight: Simulation and Analysis of the Temperature Rise of Ring Main Unit Equipment

Published on: July 5, 2024

2.4K
High-pressure, High-temperature Deformation Experiment Using the New Generation Griggs-type Apparatus
12:30

High-pressure, High-temperature Deformation Experiment Using the New Generation Griggs-type Apparatus

Published on: April 3, 2018

19.4K

Area of Science:

  • Computational chemistry
  • Materials science

Background:

  • Current water models in simulations exhibit inaccuracies in physical properties due to inadequate parameterization.
  • These discrepancies suggest a local temperature deviation from the system temperature experienced by water molecules during simulations.

Purpose of the Study:

  • To propose a novel method for calculating local temperature in water simulations.
  • To improve the accuracy of simulated physical properties of water by relating them to local temperature.

Main Methods:

  • Derivation of a new relationship between temperature and the self-diffusion coefficient of water.
  • Utilizing the self-diffusion coefficient from molecular dynamics (MD) trajectories to determine local temperature.
  • Application and validation using the TIP3P water model.

Main Results:

  • MD simulations with the TIP3P model showed a maximum in water density when plotted against calculated local temperature.
  • Calculated surface tension versus local temperature closely matched experimental data.
  • The method predicted a critical temperature for water of 652 K.

Conclusions:

  • The self-diffusion coefficient of water is a reliable indicator of local temperature in simulations.
  • Accounting for local temperature significantly enhances the accuracy of simulated water properties.
  • This approach offers a more realistic representation of water behavior in molecular dynamics studies.