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Characteristic properties of elastomers can be tailored by embedding them with filler particles. Along with enhancing the overall properties of the composite, filler particles also induce some inelastic effects. In this paper, a finite element computational model is used to study the effect of microstructure morphology in filled elastomers, on its macroscopic large deformation behavior. A multiphase material model that accounts for the hypothesis of shift in glass transition temperature in the vicinity of the filler particle is developed to simulate the interphase between the fillers and the matrix. It also accounts for the breakdown and re-aggregation of filler networks under cyclic loading. Examples at the microstructural level, demonstrating the dynamics of the interphase using the developed multiphase model have been successfully simulated. The obtained results are in good qualitative agreement with the Mullins effect. Therefore, computational experiments using this methodology enable the prediction of the experimentally observed softening behavior in filled elastomers based on its microstructure evolution. 相似文献
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Christoph Peschel Stefan van Wickeren Yves Preibisch Verena Naber Denis Werner Lars Frankenstein Dr. Fabian Horsthemke Prof. Dr. Urs Peuker Prof. Dr. Martin Winter Dr. Sascha Nowak 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(22):e202200485
Herein we report on an analytical study of dry-shredded lithium-ion battery (LIB) materials with unknown composition. Samples from an industrial recycling process were analyzed concerning the elemental composition and (organic) compound speciation. Deep understanding of the base material for LIB recycling was obtained by identification and analysis of transition metal stoichiometry, current collector metals, base electrolyte and electrolyte additive residues, aging marker molecules and polymer binder fingerprints. For reversed engineering purposes, the main electrode and electrolyte chemistries were traced back to pristine materials. Furthermore, possible lifetime application and accompanied aging was evaluated based on target analysis on characteristic molecules described in literature. With this, the reported analytics provided precious information for value estimation of the undefined spent batteries and enabled tailored recycling process deliberations. The comprehensive feedstock characterization shown in this work paves the way for targeted process control in LIB recycling processes. 相似文献
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《Arabian Journal of Chemistry》2022,15(12):104261
Nowadays, sustainable supplement of water has recently been identified as a vital necessity due to the existence of limited drinkable water sources. To do this, various techniques are being developed to remove various types of pollutants from water/wastewater sources. Adsorption of common water pollutants using nanocomposite materials has been of great popularity in recent years due to its high efficiency. This paper aims to develop various models based on machine learning approach to study their efficiency on predicting the experimentally measured results of Hg/Ni ions removal from water sources. To do this, this study attempts regression on a small data set using two parameters as inputs and two parameters as outputs. In this dataset, the inputs are Ion and C0, and the outputs are Ce and Qe. AdaBoost (Adaptive Boosting), a well-known ensemble method, was applied on top of three different models, including Decision Tree Regression (DT), Gaussian Process Regression (GPR), and Linear Regression (LR). After fine-tuning their hyper-parameters, the optimized model was evaluated through various metrics. For example, the R2 for ADA + GPR model has a score of 0.998 for Ce and 0.999 for Qe as the best model among these three models. This model in RMSE is the best and illustrates 0.1512 and 1.490 for Ce and Qe as error. Eventually, ADA + GPR has been selected as the optimized model with optimized dataset: (Ion = Ni, C0 = 250, Ce = 206.0). But for Qe, different amounts are illustrated: (Ion = Hg, C0 = 106.7, Ce = 577.35) 相似文献
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Wataru Michida Masato Ezaki Mina Sakuragi Guoqing Guan Katsuki Kusakabe 《Crystal Research and Technology》2015,50(7):556-559
The crystallization of γ‐cyclodextrin‐based metal‐organic framework (CD‐MOF) with inclusion of ferulic acid (FA) was carried out through vapor diffusion of methanol to the aqueous solution of γ‐cyclodextrin (γ‐CD), KOH and FA. Although the crystallization of pure CD was limited in highly basic solution of KOH (pH>13.0), the CD‐MOF with inclusion of FA (FA/CD‐MOF) was able to be formed at pH 6.8 after the neutralization of KOH by FA. The inclusion behavior of FA in CD‐MOF was studied by using differential scanning calorimetry. The data indicate the formation of the stable association between FA and γ‐CD in FA/CD‐MOF. 相似文献
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Guan Wu ;Ran Ran ;Bote Zhao ;Yujing Sha ;Chao Su ;Yingke Zhou ;Zongping Shao 《天然气化学杂志》2014,(3):363-375
Amorphous carbon and graphene co-modified LiFePO_4 nanocomposite has been synthesized via a facile polyol process in connection with a following thermal treatment.Various characterization techniques,including XRD.Mossbauer spectra,Raman spectra,SEM,TEM,BET,O_2-TPO,galvano charge-discharge,CV and EIS were applied to investigate the phase composition,carbon content,morphological structure and electrochemical performance of the synthesized samples.The effect of introducing way of carbon sources on the properties and performance of LiFePO_4/C/graphene composite was paid special attention.Under optimized synthetic conditions,highly crystalized olivine-type LiFePO_4was successfully obtained with electron conductive Fe_2P and FeP as the main impurity phases.SEM and TEM analyses demonstrated the graphene sheets were randomly distributed inside the sample to create an open structured LiFePO_4 with respect to graphene,while the glucosederived carbon mainly coated over LiFeP04 particles which effectively connected the graphene sheets and LiFePO_4 particles to result in a more efficient charge transfer process.As a result,favorable electrochemical performance was achieved.The performance of the amorphous carbon-graphene co-modified LiFePO_4 was further progressively improved upon cycling in the first 200 cycles to reach a reversible specificcapacity as high as 97 mAh·g~(-1) at 10 C rate. 相似文献
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This work reported the discovery of N-triflimide (NTf)-based zwitter-ionic liquids (ZILs) that exhibit UCST-type phase transitions in water, and their further structural optimization in fine-tuning polarity to ultimately afford newfangled thermosensitive materials carrying attractive and biocompatible Tc values that clearly demonstrated the true value of the tunability of ZIL structure. This research established that with non-aromatic, acyclic ZILs as small-molecule thermoresponsive materials, their mixing and de-mixing with water triggered by temperatures are entirely reversible. 相似文献