The heat transfer property of the powder bed greatly affects the performance of a thermochemical heat storage system. Therefore, an accurate evaluation of effective thermal conductivity (ETC) is a key for developing thermochemical heat storage systems. This paper focuses on the ETCs of commonly used porous thermochemical materials, such as MgO/Mg(OH) and CaO/Ca(OH) powders, as well as the corresponding composites with embedded metal foams. Random sphere-like particles packing (RSPP) method is proposed to reconstruct the microstructures of the powder and micro-scale generation method and computed tomography are adopted for the metal foams. Energy transport equations through porous media are solved by the lattice Boltzmann method (LBM) to obtain ETC. Results obtained using RSPP-LBM method agree with experimental data better than other existing methods. For thermochemical heat storage, the variation of ETC during chemical reactions is numerically predicted. Metal foam-embedded thermochemical materials are also studied to evaluate the enhancing effects of the metal foams. Results show that ETC of the powders is dominated by the gas phase, whereas that of the metal foam composites is dominated by the metal phase.
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http://dx.doi.org/10.1016/j.scib.2016.12.009 | DOI Listing |
Entropy (Basel)
December 2024
Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical Engineering, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft, The Netherlands.
Entropies for alkane isomers longer than C are computed using our recently developed linear regression model for thermochemical properties which is based on second-order group contributions. The computed entropies show excellent agreement with experimental data and data from Scott's tables which are obtained from a statistical mechanics-based correlation. Entropy production and heat input are calculated for the hydroisomerization of C isomers in various zeolites (FAU-, ITQ-29-, BEA-, MEL-, MFI-, MTW-, and MRE-types) at 500 K at chemical equilibrium.
View Article and Find Full Text PDFBeilstein J Nanotechnol
December 2024
Centro de Investigaciones en Dispositivos Semiconductores (CIDS-ICUAP), Benemérita Universidad Autónoma de Puebla (BUAP). Col. San Manuel, Cd. Universitaria, Av. San Claudio y 14 sur, Edif. IC5 y IC6. Puebla, Pue., 72507 México.
In this study, a simulation of the elementary chemical reactions during SiO film growth in a hot filament chemical vapor deposition (HFCVD) reactor was carried out using a 2D model. For the 2D simulation, the continuity, momentum, heat, and diffusion equations were solved numerically by the software COMSOL Multiphysics based on the finite element method. The model allowed for the simulation of the key parameters of the HFCVD reactor.
View Article and Find Full Text PDFPolymers (Basel)
November 2024
Zhejiang Academy of Forestry, Liuhe Road 399, Hangzhou 310023, China.
Bamboo is a fast-growing lignocellulosic plant in nature. It is an abundant and renewable resource with wide applications. The processing of bamboo results in a large amount of residue.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Department of Chemical, Biological and Bioengineering, North Carolina A&T State University, Greensboro, North Carolina 27411, United States.
Modeling adsorbates on single-crystal metals is critical in rational catalyst design and other research that requires detailed thermochemistry. First-principles simulations via density functional theory (DFT) are among the prevalent tools to acquire such information about surface species. While they are highly dependable, DFT calculations often require intensive computational resources and runtime.
View Article and Find Full Text PDFAdv Sci (Weinh)
December 2024
State Key Lab of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, 350116, P. R. China.
Developing high-performance Ca-based materials that can work for long-term heat transfer and storage in concentrated solar power plants is crucial to achieve the large-scale conversion of solar photon fluxes to dispatchable electricity. This work demonstrates that a series of Mn, Zr co-doped CaCO nanomaterials with the 3D ordered macroporous (3DOM) skeletons are successfully prepared by a novel strategy of templated metal salt co-precipitation. The characterization results indicate that a majority of Zr and Mn are atomically dispersed into the highly-crystallized CaCO framework, whereas a minor amount of Mn is present in the form of CaMnO nanoparticles (NPs).
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