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

Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.Polar molecules have a partial positive charge on one end and a partial negative charge on the other end of the molecule,...
Electric Dipoles and Dipole Moment01:30

Electric Dipoles and Dipole Moment

Consider two charges of equal magnitude but opposite signs. If they cannot be separated by an external electric field, the system is called a permanent dipole. For example, the water molecule is a dipole, making it a good solvent.
Theoretically, studying electric dipoles leads to understanding why the resultant electric forces around us are weak. Since electric forces are strong, remnant net charges are rare. Hence, the interaction between dipoles helps us understand electrical interactions in...
Calculations of Electric Potential II01:27

Calculations of Electric Potential II

An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity.
The Debye–Hückel Theory of Electrolyte Solutions01:27

The Debye–Hückel Theory of Electrolyte Solutions

The Debye–Hückel theory, established by Peter Debye and Erich Hückel in 1923, is a fundamental concept in physical chemistry. It provides an understanding of the behavior of strong electrolytes in solution, particularly explaining their deviations from ideal behavior.The theory is based on Coulombic interactions (the attraction or repulsion between charged particles) between ions in solution. In an ionic solution, oppositely charged ions tend to attract each other. This means that cations...
The Electrical Double Layer01:30

The Electrical Double Layer

In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...

You might also read

Related Articles

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

Sort by
Same author

Baseline PD-L1 expression on circulating immune cells as a predictor of survival and immune-related adverse events in extensive-stage small-cell lung cancer patients treated with durvalumab and carboplatin-etoposide (NCT04712903 Trial).

Journal of translational medicine·2026
Same author

Effect of a Low Electrostatic Environment on the Helical Structures of Peptides and Proteins Using Flexible Water Models: An In Silico Study.

ACS omega·2025
Same author

Anticonvulsant Effects of Synthetic <i>N</i>-(3-Methoxybenzyl)oleamide and <i>N</i>-(3-Methoxybenzyl)linoleamide Macamides: An In Silico and In Vivo Study.

Molecules (Basel, Switzerland)·2025
Same author

Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles.

ACS omega·2024
Same author

ADCHα-I population analysis and constrained dipole moment density functional theory in force fields for molecular simulations.

The Journal of chemical physics·2024
Same author

Influence of the Water Model on the Structure and Interactions of the GPR40 Protein with the Lipid Membrane and the Solvent: Rigid versus Flexible Water Models.

Journal of chemical theory and computation·2024

Related Experiment Video

Updated: Jul 12, 2026

Label-free Isolation and Enrichment of Cells Through Contactless Dielectrophoresis
10:38

Label-free Isolation and Enrichment of Cells Through Contactless Dielectrophoresis

Published on: September 3, 2013

Electrostatic interactions in dissipative particle dynamics using the Ewald sums.

Minerva González-Melchor1, Estela Mayoral, María Eugenia Velázquez

  • 1Instituto de Física, Universidad Autónoma de Puebla, Apartado Postal J-48, 72570 Puebla, Mexico. minerva@sirio.ifuap.buap.mx

The Journal of Chemical Physics
|December 21, 2006
PubMed
Summary

This study applies the Ewald summation method to dissipative particle dynamics (DPD) simulations, accurately modeling electrostatic interactions in electrolyte and polyelectrolyte solutions. Results show good agreement with previous methods and experimental trends for polymer behavior.

More Related Videos

Preparation of Janus Particles and Alternating Current Electrokinetic Measurements with a Rapidly Fabricated Indium Tin Oxide Electrode Array
09:55

Preparation of Janus Particles and Alternating Current Electrokinetic Measurements with a Rapidly Fabricated Indium Tin Oxide Electrode Array

Published on: June 23, 2017

Generation and Control of Electrohydrodynamic Flows in Aqueous Electrolyte Solutions
08:41

Generation and Control of Electrohydrodynamic Flows in Aqueous Electrolyte Solutions

Published on: September 7, 2018

Related Experiment Videos

Last Updated: Jul 12, 2026

Label-free Isolation and Enrichment of Cells Through Contactless Dielectrophoresis
10:38

Label-free Isolation and Enrichment of Cells Through Contactless Dielectrophoresis

Published on: September 3, 2013

Preparation of Janus Particles and Alternating Current Electrokinetic Measurements with a Rapidly Fabricated Indium Tin Oxide Electrode Array
09:55

Preparation of Janus Particles and Alternating Current Electrokinetic Measurements with a Rapidly Fabricated Indium Tin Oxide Electrode Array

Published on: June 23, 2017

Generation and Control of Electrohydrodynamic Flows in Aqueous Electrolyte Solutions
08:41

Generation and Control of Electrohydrodynamic Flows in Aqueous Electrolyte Solutions

Published on: September 7, 2018

Area of Science:

  • Computational physics
  • Physical chemistry
  • Polymer science

Background:

  • Standard electrostatic calculations in dissipative particle dynamics (DPD) can lead to artificial ionic pair formation.
  • Previous methods, like Groot's lattice-based approach, offer alternatives for simulating electrostatic interactions.

Purpose of the Study:

  • To implement and validate the Ewald summation method as an alternative for calculating electrostatic interactions in DPD simulations.
  • To investigate the structural properties of bulk electrolytes and polyelectrolyte-surfactant solutions using this method.
  • To analyze the influence of charge and solution conditions on polyelectrolyte conformation.

Main Methods:

  • Application of the standard Ewald summation method to DPD simulations.
  • Inclusion of charge distributions on DPD particles to prevent artificial ionic pairing.
  • Analysis of fluid structure using radial distribution functions.
  • Calculation of polyelectrolyte radius of gyration under varying pH and salt concentrations.

Main Results:

  • The Ewald method accurately reproduces electrostatic interactions in DPD simulations.
  • Simulated radial distribution functions for electrolytes and polyelectrolyte-surfactant solutions align with existing literature.
  • The radius of gyration of polyelectrolytes increases with net charge, consistent with experimental observations.

Conclusions:

  • The Ewald summation method provides a robust and accurate approach for electrostatic interactions in DPD simulations.
  • This method is suitable for studying complex systems like electrolytes and charged polymers.
  • The findings support the correlation between polymer charge and conformational changes observed experimentally.