Theoretical and numerical investigations of inverse patchy colloids in the fluid phase

The Journal of Chemical Physics
Yurij V KalyuzhnyiGerhard Kahl

Abstract

We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter sized particles with differently charged surface regions. We extend conventional integral equation schemes to this particular class of systems: our approach is based on the so-called multi-density Ornstein-Zernike equation, supplemented with the associative Percus-Yevick approximation (APY). To validate the accuracy of our framework, we compare the obtained results with data extracted from NpT and NVT Monte Carlo simulations. In addition, other theoretical approaches are used to calculate the properties of the system: the reference hypernetted-chain (RHNC) method and the Barker-Henderson thermodynamic perturbation theory. Both APY and RHNC frameworks provide accurate predictions for the pair distribution functions: APY results are in slightly better agreement with MC data, in particular at lower temperatures where the RHNC solution does not converge.

References

Feb 19, 2011·Physical Chemistry Chemical Physics : PCCP·Emanuela BianchiChristos N Likos
Jan 18, 2010·Macromolecular Rapid Communications·Amar B Pawar, Ilona Kretzschmar
Mar 10, 2012·The Journal of Chemical Physics·Christoph GögeleinAchille Giacometti
May 1, 2013·ACS Nano·Emanuela BianchiGerhard Kahl
May 21, 2014·Nano Letters·Emanuela BianchiGerhard Kahl
May 27, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·P D J van OostrumE Reimhult

❮ Previous
Next ❯

Citations

Sep 24, 2015·The Journal of Chemical Physics·Monika StipsitzEmanuela Bianchi
Aug 4, 2015·The Journal of Chemical Physics·Y V KalyuzhnyiP T Cummings
Dec 15, 2015·Soft Matter·C S DiasM M Telo da Gama
Jul 21, 2017·Physical Chemistry Chemical Physics : PCCP·Emanuela BianchiPeter D J van Oostrum
May 27, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Silvano FerrariGerhard Kahl
Feb 23, 2019·Soft Matter·Fatemeh Naderi MehrAlexander Böker
Mar 23, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Remya Ann Mathews K, Ethayaraja Mani

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Alexander MalijevskýMariano López de Haro
Interdisciplinary Sciences, Computational Life Sciences
Domenico Gazzillo, Achille Giacometti
Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
A Perera
© 2021 Meta ULC. All rights reserved