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Showing 25 to 36 of 104 entries
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P-NIPAM in water-acetone mixtures: experiments and simulations.

Physical chemistry chemical physics : PCCP

Pérez-Ramírez HA, Haro-Pérez C, Vázquez-Contreras E, Klapp J, Bautista-Carbajal G, Odriozola G.
PMID: 30766976
Phys Chem Chem Phys. 2019 Feb 27;21(9):5106-5116. doi: 10.1039/c8cp07549b.

The lower critical solution temperature (LCST) of poly-N-isopropylacrylamide (p-NIPAM) diminishes when a small volume of acetone is added to the aqueous polymer solution, and then increases for further additions, producing a minimum at a certain acetone concentration. Here this...

Adsorption of Acetone onto MgO: Experimental and Theoretical Evidence for the Presence of a Surface Enolate.

Angewandte Chemie (International ed. in English)

Sanz JF, Oviedo J, Márquez A, Odriozola JA, Montes M.
PMID: 29711772
Angew Chem Int Ed Engl. 1999 Feb 15;38(4):506-509. doi: 10.1002/(SICI)1521-3773(19990215)38:4<506::AID-ANIE506>3.0.CO;2-F.

A new band at 1640 cm

Fibrous MnO2 nanoparticles with (2 x 2) tunnel structures. Catalytic activity in the total oxidation of volatile organic compounds.

Journal of nanoscience and nanotechnology

Domínguez MI, Navarro P, Romero-Sarria F, Frías D, Cruz SA, Delgado JJ, Centeno MA, Montes M, Odriozola JA.
PMID: 19504928
J Nanosci Nanotechnol. 2009 Jun;9(6):3837-42. doi: 10.1166/jnn.2009.ns76.

Manganese oxides having 2 x 2 tunnel structures (cryptomelanes) have been synthesized by a milling method in order to test their efficiency as catalysts for the abatement of volatile organic compounds, using toluene as probe molecule. These materials present...

Understanding the role of the cosolvent in the zeolite template function of imidazolium-based ionic liquid.

The journal of physical chemistry. B

Ayala R, Ivanova S, Blanes JM, Romero-Sarria F, Odriozola JA.
PMID: 24611839
J Phys Chem B. 2014 Apr 03;118(13):3650-60. doi: 10.1021/jp410260g. Epub 2014 Mar 24.

In this work, a study for understanding the role played by [ClBmim], [BF4Bmim], [PF6Bmim], and [CH3SO3Bmim] ionic liquids (ILs) in the synthesis of zeolites is presented. The use of [ClBmim] and [CH3SO3Bmim] ILs, as reported earlier [ Chem. Eur....

Hard ellipsoids: analytically approaching the exact overlap distance.

The Journal of chemical physics

Guevara-Rodríguez Fde J, Odriozola G.
PMID: 21895200
J Chem Phys. 2011 Aug 28;135(8):084508. doi: 10.1063/1.3626805.

Following previous work [G. Odriozola and F. de J. Guevara-Rodríguez, J. Chem. Phys. 134, 201103 (2011)], the replica exchange Monte Carlo technique is used to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide...

Electrolyte distribution around two like-charged rods: their effective attractive interaction and angular dependent charge reversal.

The Journal of chemical physics

Jiménez-Angeles F, Odriozola G, Lozada-Cassou M.
PMID: 16613472
J Chem Phys. 2006 Apr 07;124(13):134902. doi: 10.1063/1.2178320.

A simple model for two like-charged parallel rods immersed in an electrolyte solution is considered. We derived the three point extension (TPE) of the hypernetted chain/mean spherical approximation (TPE-HNC/MSA) and Poisson-Boltzmann (TPE-PB) integral equations. We numerically solve these equations...

Irreversible versus reversible aggregation: mean field theory and experiments.

The Journal of chemical physics

Odriozola G, Leone R, Schmitt A, Callejas-Fernández J, Martínez-García R, Hidalgo-Alvarez R.
PMID: 15352842
J Chem Phys. 2004 Sep 15;121(11):5468-81. doi: 10.1063/1.1779571.

Colloidal aggregation processes arising at different electrolyte concentrations were studied by means of experiments and confronted with theoretical predictions of different kinetic aggregation models. For this purpose, aqueous dispersions of relatively large polystyrene microspheres were chosen as experimental systems....

Self-assembling of Er(2)O(3)-TiO(2) mixed oxide nanoplatelets by a template-free solvothermal route.

Chemistry (Weinheim an der Bergstrasse, Germany)

Julián-López B, Martos M, Ulldemolins N, Odriozola JA, Cordoncillo E, Escribano P.
PMID: 19810057
Chemistry. 2009 Nov 16;15(45):12426-34. doi: 10.1002/chem.200901423.

An easy solvothermal route has been developed to synthesize the first mesoporous Er(2)O(3)-TiO(2) mixed oxide spherical particles composed of crystalline nanoplatelets, with high surface area and narrow pore size distribution. This synthetic strategy allows the preparation of materials at...

Aggregation kinetics of latex microspheres in alcohol-water media.

Journal of colloid and interface science

Odriozola G, Schmitt A, Callejas-Fernández J, Hidalgo-Alvarez R.
PMID: 17379238
J Colloid Interface Sci. 2007 Jun 15;310(2):471-80. doi: 10.1016/j.jcis.2007.02.018. Epub 2007 Mar 26.

We report zeta potential and aggregation kinetics data on colloidal latex particles immersed in water-alcohol media. Zeta potential values show absolute maxima for volume fractions of alcohol of 0.10 and 0.05 for ethanol and 1-propanol, respectively. For methanol, no...

Replica exchange Monte Carlo applied to hard spheres.

The Journal of chemical physics

Odriozola G.
PMID: 19831433
J Chem Phys. 2009 Oct 14;131(14):144107. doi: 10.1063/1.3244562.

In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HSs). The idea behind the proposal is expanding volume instead of increasing temperature to...

Surface structure of cubic aluminum oxide.

Physical review. B, Condensed matter

Alvarez LJ, Capitán MJ, León LE, Odriozola JA, Sanz JF.
PMID: 9976477
Phys Rev B Condens Matter. 1994 Jul 15;50(4):2561-2565. doi: 10.1103/physrevb.50.2561.

No abstract available.

Stability of K-Montmorillonite Hydrates:  Hybrid MC Simulations.

Journal of chemical theory and computation

Odriozola G, Aguilar JF.
PMID: 26631665
J Chem Theory Comput. 2005 Nov;1(6):1211-20. doi: 10.1021/ct050062l.

NPzzT and μPzzT simulations of K-montmorillonite hydrates were performed employing hybrid Monte Carlo simulations. Two condition sets were studied:  P = 1 atm and T = 300 K (ground level conditions) and P = 600 atm and T =...

Showing 25 to 36 of 104 entries