Zobrazeno 1 - 10
of 151
pro vyhledávání: '"Roa, Rafael"'
Publikováno v:
Curr Opin Colloid Interface Sci 56, 101501 (2021)
Polymer materials with low water uptake exhibit a highly heterogeneous interior, characterized by water clusters in the form of nanodroplets and nanochannels. Here, based on our recent insights from computer simulations, we argue that water cluster s
Externí odkaz:
http://arxiv.org/abs/2108.00440
Publikováno v:
Macromolecules 55, 16, 7327-7339 (2022)
In the popular solution-diffusion picture, the membrane permeability is defined as the product of the partition ratio and the diffusivity of penetrating solutes inside the membrane in the linear response regime, i.e., in equilibrium. However, of prac
Externí odkaz:
http://arxiv.org/abs/2106.05507
Electrostatic reaction inhibition in heterogeneous catalysis emerges if charged reactants and products are adsorbed on the catalyst and thus repel the approaching reactants. In this work, we study the effects of electrostatic inhibition on the reacti
Externí odkaz:
http://arxiv.org/abs/2103.17011
Publikováno v:
Soft Matter, 2018, 14, 4053
Metal nanoparticles are receiving increased scientific attention owing to their unique physical and chemical properties that make them suitable for a wide range of applications in diverse fields, such as electrochemistry, biochemistry, and nanomedici
Externí odkaz:
http://arxiv.org/abs/2010.03627
Autor:
Kim, Won Kyu, Chudoba, Richard, Milster, Sebastian, Roa, Rafael, Kanduc, Matej, Dzubiella, Joachim
Publikováno v:
Soft Matter, 16, 8144-8154 (2020)
We study the permeability and selectivity (`permselectivity') of model membranes made of polydisperse polymer networks for molecular penetrant transport, using coarse-grained, implicit-solvent computer simulations. The permeability $\mathcal P$ is de
Externí odkaz:
http://arxiv.org/abs/2004.09175
Autor:
Mei, Shilin, Kochovski, Zdravko, Roa, Rafael, Gu, Sasa, Xu, Xiaohui, Yu, Hongtao, Dzubiella, Joachim, Ballauff, Matthias, Lu, Yan
Photothermal conversion (PTC) nanostructures have great potential for applications in many fields, and therefore, they have attracted tremendous attention. However, the construction of a PTC nanoreactor with multi-compartment structure to achieve the
Externí odkaz:
http://arxiv.org/abs/2003.10855
Publikováno v:
ACS Nano 2019, 13, 11224-11234
The uptake and sorption of charged molecules by responsive polymer membranes and hydrogels in aqueous solutions is of key importance for the development of soft functional materials. Here we investigate the partitioning of simple monoatomic (Na$^+$,
Externí odkaz:
http://arxiv.org/abs/2003.09455
Publikováno v:
Mol. Syst. Des. Eng., 2020, Advance Article
In modern applications of heterogeneous liquid-phase nanocatalysis, the catalysts (e.g., metal nanoparticles) need to be typically affixed to a colloidal carrier system for stability and easy handling. "Passive carriers" (e.g., simple polyelectrolyte
Externí odkaz:
http://arxiv.org/abs/2003.09001
Publikováno v:
Physical Review Letters, 122, 108001 (2019)
The permeability is one of the most fundamental transport properties in soft matter physics, material engineering, and nanofluidics. Here we report by means of Langevin simulations of ideal penetrants in a nanoscale membrane made of a fixed lattice o
Externí odkaz:
http://arxiv.org/abs/1902.05994
A central quantity in the design of functional hydrogels used as nanocarrier systems, for instance for drug delivery or adaptive nanocatalysis, is the partition ratio, which quantifies the uptake of a molecular substance by the polymer matrix. By emp
Externí odkaz:
http://arxiv.org/abs/1901.01297