Concept

Coefficient de diffusion

Publications associées (119)

Slow CH3NH3+ Diffusion in CH3NH3PbI3 under Light Measured by Solid-State NMR and Tracer Diffusion

Michael Graetzel, Joachim Maier, Alessandro Senocrate

We investigate methylammonium (MA) transport in MA lead iodide under illumination and show this, as in the dark, to be measurable but negligible when compared with the major carriers. H-1 and C-13 nuclear magnetic resonance (NMR) spectra show constant line ...

AMER CHEMICAL SOC2018

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

Michele Ceriotti

Nuclear quantum effects (NQEs) cause the nuclei of light elements like hydrogen to delocalize, affecting numerous properties of water and aqueous solutions, such as hydrogen-bonding and proton transfer barriers. Here, we address the prototypical case of aq ...

2018

Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics

Michele Ceriotti, Bingqing Cheng

Estimating the homogeneous ice nucleation rate from undercooled liquid water is crucial for understanding many important physical phenomena and technological applications, and challenging for both experiments and theory. From a theoretical point of view, d ...

2018

Reactive transport modelling of cement paste leaching in brines

Fabien Jacques Michel Georget

We propose and analyse a unified reactive transport model for leaching of cement paste in brines, with and without CO2. We investigate the impact of the boundary conditions on the rate of propagation of the reaction. In agreement with experiments, we obser ...

PERGAMON-ELSEVIER SCIENCE LTD2018

Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 1. Flow without reactions

Arata Nakajo

We present a fully analytical, heuristic model the "Analytical Transport Network Model" for steady-state, diffusive, potential flow through a 3-D network. Employing a combination of graph theory, linear algebra, and geometry, the model explicitly relates a ...

Elsevier Science Bv2017

Diffusion-weighted MRS of acetate in the rat brain

Rolf Gruetter, Bernard Lanz, Hikari Ananda Infinity Yoshihara, Nicolas Kunz, Masoumeh Dehghani Moghadam

Acetate has been proposed as an astrocyte-specific energy substrate for metabolic studies in the brain. The determination of the relative contribution of the intracellular and extracellular compartments to the acetate signal using diffusion-weighted magnet ...

Wiley-Blackwell2017

Effect of dilatancy on a frictional weakening fault subjected to fluid injection

Brice Tanguy Alphonse Lecampion, Federico Ciardo

Fluid injection at a pressure below the local minimum principal total stress in a fault may (re)activate shear crack propagation (hydroshearing). Because of the presence of asperities along the fault's surfaces, fault hydraulic width increase with slip. Sc ...

2017

Domain Pinning: Comparison of Hafnia and PZT Based Ferroelectrics

Paul Muralt, Robin Nigon

Even though many studies on the field cycling behavior of ferroelectric hafnium oxide have recently been published, the issue is still not fully understood. The initial increase of polarization during first cycles is explained by different theoretical and ...

Wiley2017

Liquid CO2 processing of solid polylactide foam precursors

John Christopher Plummer, Yonghoon Yoon

Diffusion of CO2 in polylactide was modelled by assuming the diffusion coefficient to depend on CO2 concentration, c, according to D[c]=D[0]exp[Ac], where D[0] and A are empirical constants, with the aim of optimizing impregnation of nominally amorphous an ...

Sage Publications Ltd2016

Nuclear Quantum Effects in H+ and OH- Diffusion along Confined Water Wires

Michele Ceriotti, Mariana Rossi Carvalho

The diffusion of protons and hydroxide ions along water wires provides an efficient mechanism for charge transport that is exploited by biological membrane channels and shows promise for technological applications such as fuel cells. However, what is lacki ...

Amer Chemical Soc2016

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