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Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…

Chemical Physics · Physics 2018-09-18 William Foster , Juan A. Aguilar , Halim Kusumaatmaja , Kislon Voïtchovsky

A combination of experiments and extensive modelling, including a chemical kinetics analysis, was performed for a CO$_2$/H$_2$O plasma in a dielectric barrier discharge. This provides a better understanding of the mechanisms related to the…

Chemical Physics · Physics 2016-06-15 Ramses Snoeckx , Alp Ozkan , Robby Aerts , Thierry Dufour , François Reniers , Annemie Bogaerts

Microchip electrokinetic methods are capable of increasing the sensitivity of molecular assays by enriching and purifying target analytes. However, their use is currently limited to assays that can be performed under a high external…

Quantitative Methods · Quantitative Biology 2019-01-01 Xander F. van Kooten , Moran Bercovici , Govind V. Kaigala

Large scale production of hydrogen by electrochemical water splitting is considered as a promising technology to address critical energy challenges caused by the extensive use of fossil fuels. Although nonprecious nickel-based catalysts…

Chemical Physics · Physics 2021-08-31 Yuting Luo , Zhiyuan Zhang , Fengning Yang , Jiong Li , Zhibo Liu , Wencai Ren , Shuo Zhang , Bilu Liu

While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation…

Machine Learning · Computer Science 2024-12-09 Sirui Xie , Zhisheng Xiao , Diederik P Kingma , Tingbo Hou , Ying Nian Wu , Kevin Patrick Murphy , Tim Salimans , Ben Poole , Ruiqi Gao

Water confined to channels one nanometer thick exhibits electrochemical behavior distinct from bulk water, including enhanced protonic conductivity and large dielectric anisotropy. Here, we exploit these characteristics to design a scalable…

We show that a multi-walled carbon nanotube film can be used as the sensing element of a low-cost sensor for the alcoholic concentration in liquid solutions. To this purpose, we investigate the electrical resistance of the film as a…

Mesoscale and Nanoscale Physics · Physics 2020-08-25 C. Giordano , G. Filatrella , Maria Sarno , A. Di Bartolomeo

We present a study of the adsorption and diffusion of CH4, CO2 and H2 molecules in clathrate hydrates using ab initio van der Waals density functional formalism [Dion et al. Phys. Rev. Lett. 92, 246401 (2004)]. We find that the adsorption…

Materials Science · Physics 2015-05-19 Guillermo Román-Pérez , Mohammed Moiaed , Jose M. Soler , Felix Yndurain

Water splitting allows the storage of solar energy into chemical bonds (H2+O2) and will help to implement the urgently needed replacement of limited available fossil fuels. Particularly in neutral environment electrochemically initiated…

We present the results of an interferometric study of 38 millimeter-wave lines of CH3OH in the region around the water maser source W3(H2O) and a region extending about 30" to the south and west of the hydroxyl maser source W3(OH). The…

We present a modification of a recently developed volume of fluid method for multiphase problems, so that it can be used in conjunction with a fractional step-method and fast Poisson solver, and validate it with standard benchmark problems.…

Fluid Dynamics · Physics 2018-07-06 Marco Edoardo Rosti , Francesco De Vita , Luca Brandt

Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy,…

Displacing liquid in a confined space is important for technological processes, ranging from porous membrane separation to CO$_{2}$ sequestration. The liquid to be displaced usually consists of multiple components with different…

Soft Condensed Matter · Physics 2021-02-26 Gilmar F. Arends , Jae Bem You , John M. Shaw , Xuehua Zhang

We present an energy-stable scheme for numerically approximating the governing equations for incompressible two-phase flows with different densities and dynamic viscosities for the two fluids. The proposed scheme employs a scalar-valued…

Computational Physics · Physics 2019-06-26 Z. Yang , S. Dong

An energy efficient spark plasma sintering method enabling the densification of large size samples assisted by very low electric current levels is developed. In this method, the electric current is concentrated in the graphite foils around…

Materials Science · Physics 2020-12-24 Charles Manière , Geuntak Lee , Joanna Mckittrick , Eugene A. Olevsky

We present a numerical study of the rheology of a two-fluid emulsion in dilute and semidilute conditions. The analysis is performed for different capillary numbers, volume fraction and viscosity ratio under the assumption of negligible…

Fluid Dynamics · Physics 2019-10-23 Francesco De Vita , Marco Edoardo Rosti , Sergio Caserta , Luca Brandt

High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary HE-MBene compositions from the {Ti, V, Cr,…

Materials Science · Physics 2026-05-12 Sree Harsha Bharadwaj H , Raghavan Ranganathan

The fabrication of electrochemical double-layer capacitors (EDLCs) with high areal capacitance relies on the use of elevated mass loadings of highly porous active materials. Herein, we demonstrate a high-throughput manufacturing of…

The efficient mixing of fluids is key in many applications, such as chemical reactions and nanoparticle precipitation. Detailed experimental measurements of the mixing dynamics are however difficult to obtain, and so predictive numerical…

Fluid Dynamics · Physics 2017-11-21 Tobias Schikarski , Wolfgang Peukert , Marc Avila

Even though entanglement is very vulnerable to interactions with the environment, it can be created by purely dissipative processes. Yet, the attainable degree of entanglement is profoundly limited in the presence of noise sources. We show…

Quantum Physics · Physics 2013-05-29 Karl Gerd H. Vollbrecht , Christine A. Muschik , J. Ignacio Cirac
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