Results 71 to 80 of about 2,683,753 (180)

Through-plane water distribution in a polymer electrolyte fuel cell: Comparison of numerical prediction with neutron radiography data [PDF]

open access: yes, 2010
A multidimensional mathematical model is presented for simulating the coupled phenomena of gaseous fuel/reactant flows, species (including liquid water) transport, heat transfer, hydrogen oxidation, and oxygen reduction reactions in a polymer electrolyte
Chen, KS, Wang, Y
core   +1 more source

Simulation Studies of the Dynamics and the Connectivity Patterns of Hydrogen Bonds in Water from Ambient to Supercritical Conditions

open access: yesMolecules
Pressurized high-temperature water attracts attention as a promising medium for chemical synthesis, biomass processing or destruction of hazardous waste.
Dorota Swiatla-Wojcik
doaj   +1 more source

Liquid water contains the building blocks of diverse ice phases

open access: yesNature Communications, 2020
Molecular understanding of water is challenging due to the structural complexity of liquid water and the large number of ice phases. Here the authors use a machine-learning potential trained on liquid water to demonstrate the structural similarity of ...
Bartomeu Monserrat   +3 more
doaj   +1 more source

Remarks on Life Feasibility on the Red Planet

open access: yesMicroorganisms
The current strong interest in the exploration of Mars leads to the question of the actual possibility of the presence or possible past or future development of life on the planet. Several clues suggest that liquid water could be stably present under the
Fiorella Mancini, Giuseppe Graziano
doaj   +1 more source

Translational-Rotational Decoupling Dynamics of High-Pressure Liquid Water under Quasi-Isentropic Compression

open access: yesGaoya wuli xuebao
The ubiquitous presence of water, from Earth and planetary bodies to interstellar space, renders its phase behavior across an extensive thermodynamic range fundamental to understanding key scientific phenomena such as biochemical reactions, climate ...
Changhao DENG, Bo CHEN, Jiayu DAI
doaj   +1 more source

Two exchange-correlation functionals compared for first-principles liquid water [PDF]

open access: yes, 2005
The first-principles description of liquid water using ab initio molecular dynamics (AIMD) based on Density Functional theory (DFT) has recently been found to require long equilibration times, giving too low diffusivities and a clear over-structuring of ...
Artacho, Emilio   +2 more
core   +2 more sources

Influence of disordered porous media in the anomalous properties of a simple water model

open access: yes, 2015
The thermodynamic, dynamic and structural behavior of a water-like system confined in a matrix is analyzed for increasing confining geometries. The liquid is modeled by a two dimensional associating lattice gas model that exhibits density and diffusion ...
Barbosa, M. C.   +2 more
core   +1 more source

Introduction and Review of Liquid-Liquid Microextraction Method, Development and Applications in Sample Preparation and Extraction

open access: yesتحقیقات نظام سلامت, 2022
Dispersive liquid-liquid microextraction (DLLME) is a novel sample-preparation technique that provides high enrichment factors from the low volume of aqueous samples.
Sara Karimi-Zeverdegani   +2 more
doaj  

How the Liquid-Liquid Transition Affects Hydrophobic Hydration in Deeply Supercooled Water

open access: yes, 2005
We determine the phase diagram of liquid supercooled water by extensive computer simulations using the TIP5P-E model [J. Chem. Phys. {\bf 120}, 6085 (2004)].
D. Frenkel   +3 more
core   +1 more source

X-ray absorption of liquid water by advanced ab initio methods

open access: yes, 2017
Oxygen K-edge X-ray absorption spectra of liquid water are computed based on the configurations from advanced ab initio molecular dynamics simulations, as well as an electron excitation theory from the GW method. One one hand, the molecular structures of
Chen, Mohan   +9 more
core   +1 more source

Home - About - Disclaimer - Privacy