Exploring the nature of the interactions between the molecules of the sodium dodecyl sulfate and water in crystal phases and in the water/vacuum interface

Autor: Yosslen Aray, José G. Parra, Ricardo Paredes, Luis Javier Álvarez, Antonio Diaz-Barrios

Publikováno v: Heliyon, Vol 6, Iss 6, Pp e04199- (2020)

The nature of the interaction between the molecules of the sodium dodecyl sulfate surfactant forming two crystal phases, one anhydrous, NaC12H25O4S and the other, NaC12H25O4S.H2O, hydrated with one water molecule for unit cell, has been studied in de

Externí odkaz: https://doaj.org/article/e15d57caa10b4b93b79d24861386342c

Dynamics of Surfactant Clustering at Interfaces and Its Influence on the Interfacial Tension: Atomistic Simulation of a Sodium Hexadecane–Benzene Sulfonate–Tetradecane–Water System

Autor: Bryan Medina-Rodrı́guez, Samantha Samaniego, Ricardo Paredes, Ana I. Fariñas-Sánchez, Yosslen Aray, Luis Javier Alvarez

Publikováno v: Repositorio Institucional UDCA
Universidad de Ciencias Aplicadas y Ambientales U.D.C.A
instacron:Universidad de Ciencias Aplicadas y Ambientales U.D.C.A

The process of equilibration of the tetradecane-water interface in the presence of sodium hexadecane-benzene sulfonate is studied using intensive atomistic molecular dynamics simulations. Starting as an initial point with all of the surfactants at th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3d856912e3e5675d34ae723b48b0c02
https://doi.org/10.1021/acs.langmuir.7b03719

Exploring the electron density localization in MoS2 nanoparticles using a localized-electron detector: Unraveling the origin of the one-dimensional metallic sites on MoS2 catalysts

Autor: Antonio Díaz Barrios, Yosslen Aray

Publikováno v: Repositorio Institucional UDCA
Universidad de Ciencias Aplicadas y Ambientales U.D.C.A
instacron:Universidad de Ciencias Aplicadas y Ambientales U.D.C.A

The nature of the electron density localization in two MoS2 nanoclusters containing eight rows of Mo atoms, one with 100% sulphur coverage at the Mo edges (n8-100S) and the other with 50% coverage (n8-50S) was studied using a localized-electron detec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e025372cac8fb4826bf30c081a330dc4
https://doi.org/10.1039/c8cp03387k

Behavior of the SDS/1-butanol and SDS/2-butanol mixtures at the water/n-octane interface through molecular dynamics simulations

Autor: P. Iza, Eduardo Schott, José G. Parra, Yosslen Aray, Ximena Zarate

Publikováno v: Repositorio Institucional UDCA
Universidad de Ciencias Aplicadas y Ambientales U.D.C.A
instacron:Universidad de Ciencias Aplicadas y Ambientales U.D.C.A

Interfacial properties of water/SDS+1-butanol/n-octane and water/SDS+2-butanol/n-octane systems have been determined using MD simulations with the aim of studying the molecular interactions between alcohols and SDS when are located at the water/n-oct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::811cb4c4da3ed465c610535e39455454
https://www.scopus.com/search/form.uri?display=basic

Corrigendum to 'Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study' [Colloids Surf. A 578 (2019) 615]

Autor: Ximena Zarate, Hector Dominguez, Eduardo Schott, P. Iza, José G. Parra, Yosslen Aray

Publikováno v: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 586:124153

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2ca65018ed6238c9bfef386f0b3d9538
https://doi.org/10.1016/j.colsurfa.2019.124153