Zobrazeno 1 - 10
of 38
pro vyhledávání: '"Juan F. J. Alvarado"'
Publikováno v:
Molecular Simulation. 46:246-252
Silica and nickel are frequently used in the synthesis of carbon nanotubes by the chemical vapour deposition (CVD) process. The molecular simulation of this process requires the knowledge of force ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8c82f77b687677c2f7d29fd161fd7b9d
https://doi.org/10.1080/08927022.2019.1695056
https://doi.org/10.1080/08927022.2019.1695056
Autor:
Guillermo González-Alatorre, Juan F. J. Alvarado, R.E. Macias-Jamaica, E.O. Castrejón-González, Christian O. Díaz-Ovalle
Publikováno v:
Journal of Molecular Liquids. 274:90-97
In this work two Sodium Dodecyl Sulphate (SDS) molecular models are proposed; one based on the Explicit-Atom (EA) approach while the other on the United-Atom (UA) approach. A SDS aqueous solution was simulated using the TIP4P/e potential for water. W
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af7ece9b0b9852c9a88b94f5282129ae
https://doi.org/10.1016/j.molliq.2018.10.121
https://doi.org/10.1016/j.molliq.2018.10.121
Publikováno v:
Optik. 169:137-146
TiO2 is a semiconductor used in photocatalysis due to its optical and electrical properties, while Zeolites are used as photocatalysts due to its porous structure that allows adequate adsorption by combining these compounds advanced materials are cre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e9a15a209042e493fae097f3345d699
https://doi.org/10.1016/j.ijleo.2018.05.028
https://doi.org/10.1016/j.ijleo.2018.05.028
Autor:
N. Pérez-Herrera, Flor Arcega-Cabrera, L. González, Lane F. Fargher, Elsa Noreña-Barroso, I. Oceguera-Vargas, M. Quesadas-Rojas, S. Pérez-Medina, L. Yánez-Estrada, Juan F. J. Alvarado, Rosa Moo-Puc
Publikováno v:
Bulletin of Environmental Contamination and Toxicology. 100:620-626
Merida is the largest urban center in the Mexican State of Yucatan. Here domestic sewage is deposited in poorly built septic tanks and is not adequately treated. Because of contamination from such waste, water from the top 20 m of the aquifer is unsu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f166b36052243669ee167569d36cfe83
https://doi.org/10.1007/s00128-018-2306-8
https://doi.org/10.1007/s00128-018-2306-8
Autor:
Alejandro Estrada-Baltazar, Juan F. J. Alvarado, Florianne Castillo-Borja, E.G. Blanco-Díaz, E.O. Castrejón-González
Publikováno v:
Journal of Molecular Liquids. 242:265-271
Equilibrium and non-equilibrium molecular dynamics simulations were performed with the aim to deepen in the understanding of ionic liquids molecular interactions. Hydrogen bonds (HBs) and the structure of ions for 1-butyl-3-methylimidazolium bis(trif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ac7a6adb698b99429618f9cb129492f
https://doi.org/10.1016/j.molliq.2017.06.128
https://doi.org/10.1016/j.molliq.2017.06.128
Publikováno v:
Food and Bioproducts Processing. 104:124-136
Fouling is an unwished physical phenomenon that occurs in thermal treatments of foodstuffs. The dairy industry invests important quantities of time and economic resources to treat and reduce the fouling. The milk evaporation process experiences fouli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f5859d922a7515a4c242fc43b41a67c
https://doi.org/10.1016/j.fbp.2017.05.007
https://doi.org/10.1016/j.fbp.2017.05.007
Publikováno v:
Molecular Simulation. 44:63-72
Three molecular models, commonly used in the simulation of polymeric solutions and melts were employed to describe the rheological behaviour of dilute, elastic and constant viscosity solution forme...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30d30fcf64b179ac9c9324ea89498db1
https://doi.org/10.1080/08927022.2017.1342119
https://doi.org/10.1080/08927022.2017.1342119
Autor:
E.O. Castrejón-González, María de los Ángeles Olán-Acosta, Vicente Rico-Ramirez, Juan F. J. Alvarado
Publikováno v:
Chemical Engineering Research and Design. 109:443-454
Approximate methods are suitable for rapid analysis of alternatives during the conceptual phase of a process design. Few approximate methods for liquid–liquid extraction have been published and few theoretical studies have been carried out in this
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0626f2fe32e0fd6d75805575978260e2
https://doi.org/10.1016/j.cherd.2016.01.033
https://doi.org/10.1016/j.cherd.2016.01.033
Autor:
Valeria J. González-Coronel, Octavio Manero, Juan F. J. Alvarado, Shirley Carro, O. Castrejón-González, J. Castillo-Tejas
Publikováno v:
Colloids and Surfaces A: Physicochemical and Engineering Aspects. 491:37-49
In this work, non-equilibrium molecular dynamics (NEMD) is used to simulate simple shear flow of associative polymer solutions of the telechelic and multi-sticker types. The objective of the work is the analysis of the effect of the hydrophobic group
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a40d94c3f4f7ce334cdc71e93dc01854
https://doi.org/10.1016/j.colsurfa.2015.11.052
https://doi.org/10.1016/j.colsurfa.2015.11.052
Autor:
Y. Durán-Morales, D. Aztatzi-Pluma, A. Almendarez-Camarillo, Juan F. J. Alvarado, E.O. Castrejón-González
Publikováno v:
The Journal of Physical Chemistry C. 120:2371-2378
Molecular dynamics (MD) simulations were performed to calculate the interaction between chitosan at different degrees of deacetylation (DD) and carbon nanotubes (CNTs) functionalized with either amine (−NH2) or carboxylic (−COOH) groups. The obje
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51bf98a39fc5707f5afa87210146f745
https://doi.org/10.1021/acs.jpcc.5b08136
https://doi.org/10.1021/acs.jpcc.5b08136