Effective pair potential between charged nanoparticles at high volume fractions

2017 ◽  
Vol 19 (6) ◽  
pp. 4787-4792 ◽  
Author(s):  
Guillaume Bareigts ◽  
Christophe Labbez
Keyword(s):  
Molecular Simulation ◽  
Pair Potential ◽  
High Volume ◽  
Spherical Particles ◽  
Simulation Program ◽  
Volume Fractions ◽  
Charged Colloids ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Charged Nanoparticles

We proposed a simple and versatile method to calculate the effective pair potential between charged colloids which can easily be used in popular molecular simulation program packages and extended to non-spherical particles.

A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia

1999 ◽  
Vol 97 (10) ◽  
pp. 1129-1137 ◽  
Author(s):  
T. Kristof, J. Vorholz, J. Liszi, B. R
Keyword(s):  
Thermodynamic Properties ◽  
Molecular Simulation ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia

1999 ◽  
Vol 97 (10) ◽  
pp. 1129-1137 ◽  
Author(s):  
T. KRISTÓF ◽  
J. VORHOLZ ◽  
J. LISZI ◽  
B. RUMPF ◽  
G. MAURER
Keyword(s):  
Thermodynamic Properties ◽  
Molecular Simulation ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

Optimal Effective Pair Potential for Charged Colloids

1993 ◽  
Vol 23 (9) ◽  
pp. 673-678 ◽  
Author(s):  
H Löwen ◽  
G Kramposthuber
Keyword(s):  
Pair Potential ◽  
Charged Colloids ◽  
Effective Pair Potential ◽  
Effective Pair

scholarly journals Effective charges and virial pressure of concentrated macroion solutions

2015 ◽  
Vol 112 (30) ◽  
pp. 9242-9246 ◽  
Author(s):  
Niels Boon ◽  
Guillermo Ivan Guerrero-García ◽  
René van Roij ◽  
Monica Olvera de la Cruz
Keyword(s):  
Physical Properties ◽  
Colloidal Particles ◽  
Pair Potential ◽  
Colloidal Suspensions ◽  
High Volume ◽  
Double Layers ◽  
Concentrated Suspensions ◽  
Volume Fractions ◽  
Effective Pair ◽  
Dynamics Simulations

The stability of colloidal suspensions is crucial in a wide variety of processes, including the fabrication of photonic materials and scaffolds for biological assemblies. The ionic strength of the electrolyte that suspends charged colloids is widely used to control the physical properties of colloidal suspensions. The extensively used two-body Derjaguin−Landau−Verwey−Overbeek (DLVO) approach allows for a quantitative analysis of the effective electrostatic forces between colloidal particles. DLVO relates the ionic double layers, which enclose the particles, to their effective electrostatic repulsion. Nevertheless, the double layer is distorted at high macroion volume fractions. Therefore, DLVO cannot describe the many-body effects that arise in concentrated suspensions. We show that this problem can be largely resolved by identifying effective point charges for the macroions using cell theory. This extrapolated point charge (EPC) method assigns effective point charges in a consistent way, taking into account the excluded volume of highly charged macroions at any concentration, and thereby naturally accounting for high volume fractions in both salt-free and added-salt conditions. We provide an analytical expression for the effective pair potential and validate the EPC method by comparing molecular dynamics simulations of macroions and monovalent microions that interact via Coulombic potentials to simulations of macroions interacting via the derived EPC effective potential. The simulations reproduce the macroion−macroion spatial correlation and the virial pressure obtained with the EPC model. Our findings provide a route to relate the physical properties such as pressure in systems of screened Coulomb particles to experimental measurements.

A test of an effective pair potential for liquid water

1983 ◽  
Vol 79 (5) ◽  
pp. 2496-2498 ◽  
Author(s):  
Michael Townsend ◽  
Stuart A. Rice ◽  
Michael D. Morse
Keyword(s):  
Liquid Water ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

Effective Pair Potential and Thermodynamic Properties of Liquid Noble Metals

1982 ◽  
Vol 109 (1) ◽  
pp. 137-144 ◽  
Author(s):  
R. N. Joarder ◽  
R. V. Gopala Rao
Keyword(s):  
Thermodynamic Properties ◽  
Noble Metals ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair

A path integral Monte Carlo study of liquid neon and the quantum effective pair potential

1984 ◽  
Vol 81 (6) ◽  
pp. 2523-2527 ◽  
Author(s):  
D. Thirumalai ◽  
Randall W. Hall ◽  
B. J. Berne
Keyword(s):  
Monte Carlo ◽  
Path Integral ◽  
Pair Potential ◽  
Monte Carlo Study ◽  
Path Integral Monte Carlo ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Liquid Neon

The water monomer on the prism face of ice and above a four layer ice basal face ledge: An effective pair potential model

1981 ◽  
Vol 75 (4) ◽  
pp. 1991-1995 ◽  
Author(s):  
Barbara N. Hale ◽  
Jerry Kiefer ◽  
Carolyn A. Ward
Keyword(s):  
Potential Model ◽  
Pair Potential ◽  
Basal Face ◽  
Prism Face ◽  
Effective Pair Potential ◽  
Effective Pair

Effective pair potential for random fcc CoCrFeMnNi alloys

2020 ◽  
Vol 28 (7) ◽  
pp. 075006 ◽  
Author(s):  
R Gröger ◽  
V Vitek ◽  
A Dlouhý
Keyword(s):  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair
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