2023 Roadmap on molecular modelling of electrochemical energy materials
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In this study nanocrystalline hydroxyapatite (nHA) was synthesized and characterized by means of FT-IR, XRD and TEM techniques and a series of proton exchange membranes based on Nafion (R) and nHA were fabricated via solvent casting method. Thermogravimetr ...
The paper describes a test set-up, based on the use of a Digital Signal Processor (DSP), developed for the evaluation of the operational characteristics of an autonomous Auxiliary Power Unit (APU). The considered APU includes a 4.8 kW commercial Proton Exc ...
Hydrogen (H2) has raised considerable interest as a future energy carrier in its application to fuel cell driven vehicles, as it is absolutely free of polluting emissions. However, it is flammable in air and difficult to contain, for which reason innovativ ...
If process modelling is a well known approach to compute the performances of fuel cell systems, the optimal design of systems where the process configuration is not fixed a priori remains an issue. The goal of the presented methodology for integrating and ...
Maintaining a fuel cell system in correct operating conditions when subjected to fast load changes requires good system control. In order to design such a controller, a simple PEFC system model describing all the important system dynamics and cross couplin ...
Correctly controlling a fuel cell system and maintaining correct operating conditions, particularly under dynamic load variations, is difficult without advanced, multivariable control systems. In order to design and implement such controllers, an appropria ...
The spectrum of exponentially weighted covariance matrices is studied here. We first give a formal way of obtaining the spectrum using annealed approximation frequently used in Statistical Mechanics. Using the method developed by Bai and Silverstein we obt ...
Results concerning the coupling of the steam reforming and total oxidn. of methanol in a two-passage reactor are presented. A com. available copper-based catalyst is used for the steam reforming. For the total oxidn., a highly active cobalt oxide catalyst ...
A method is described to extract a complete set of sequence-dependent material parameters for rigid base and basepair models of DNA in solution from atomistic molecular dynamics simulations. The method is properly consistent with equilibrium statistical me ...
Good things come in small packages: For its moderate molecular weight, the metallostar complex [Fe{Gd2L(H2O)4}3]4− (see picture; L is a bipyridine–poly(aminocarboxylate) derivative) displays exceptionally high proton relaxivity, which is explained in terms ...