Dataset Information

Gas Sensing Properties of Cobalt Titanate with Multiscale Pore Structure: Experiment and Simulation.

ABSTRACT: A diffusion-reaction coupled model was presented to investigate the effects of multiscale pore structure characteristics on gas sensing properties. A series of CoTiO3 powders with different pore size distributions were fabricated by sol-gel method. Experimental results on cobalt titanate thick films show that a well-defined multiscale pore structure is particularly desired for the improvement of sensing performance, instead of just increasing the specific surface area. The theoretical responses of sensing elements with different pore size distributions were derived and compared with experimental data on CoTiO3 sensors exposed to ethanol. The calculated sensitivities considering the influence of pore size changes were also found to be in agreement with the experimental results. A dimensionless Thiele modulus Th was introduced for assessing the critical point corresponding to the transformation from surface reaction-controlled sensitivity into diffusion-controlled sensitivity.

SUBMITTER: Li M

PROVIDER: S-EPMC7146573 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Gas Sensing Properties of Cobalt Titanate with Multiscale Pore Structure: Experiment and Simulation.

Li Mingchun M Wang Baoting B Tao Aili A Li Shengfei S

Sensors (Basel, Switzerland) 20200324 6

A diffusion-reaction coupled model was presented to investigate the effects of multiscale pore structure characteristics on gas sensing properties. A series of CoTiO<sub>3</sub> powders with different pore size distributions were fabricated by sol-gel method. Experimental results on cobalt titanate thick films show that a well-defined multiscale pore structure is particularly desired for the improvement of sensing performance, instead of just increasing the specific surface area. The theoretical ...[more]

PMID: 32213835

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Project description:Understanding the mechanisms that trigger chromatin compaction, its patterns, and the factors they depend on, is a fundamental and still open question in Biology. Chromatin compacts and reinforces DNA and is a stable but dynamic structure, to make DNA accessible to proteins. In recent years, computational advances have provided larger amounts of data and have made large-scale simulations more viable. Experimental techniques for the extraction and reconstitution of chromatin fibers have improved, reinvigorating theoretical and experimental interest in the topic and stimulating debate on points previously considered as certainties regarding chromatin. A great assortment of approaches has emerged, from all-atom single-nucleosome or oligonucleosome simulations to various degrees of coarse graining, to polymer models, to fractal-like structures and purely topological models. Different fiber-start patterns have been studied in theory and experiment, as well as different linker DNA lengths. DNA is a highly charged macromolecule, making ionic and electrostatic interactions extremely important for chromatin topology and dynamics. Indeed, the repercussions of varying ionic concentration have been extensively examined at the computational level, using all-atom, coarse-grained, and continuum techniques. The presence of high-curvature AT-rich segments in DNA can cause conformational variations, attesting to the fact that the role of DNA is both structural and electrostatic. There have been some tentative attempts to describe the force fields governing chromatin conformational changes and the energy landscapes of these transitions, but the intricacy of the system has hampered reaching a consensus. The study of chromatin conformations is an intrinsically multiscale topic, influenced by a wide range of biological and physical interactions, spanning from the atomic to the chromosome level. Therefore, powerful modeling techniques and carefully planned experiments are required for an overview of the most relevant phenomena and interactions. The topic provides fertile ground for interdisciplinary studies featuring a synergy between theoretical and experimental scientists from different fields and the cross-validation of respective results, with a multi-scale perspective. Here, we summarize some of the most representative approaches, and focus on the importance of electrostatics and solvation, often overlooked aspects of chromatin modeling.

Dataset Information

Gas Sensing Properties of Cobalt Titanate with Multiscale Pore Structure: Experiment and Simulation.

Publications

Gas Sensing Properties of Cobalt Titanate with Multiscale Pore Structure: Experiment and Simulation.

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