Institutional Repository of Institute of Process Engineering, CAS (IPE-IR）
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科学数据语义关联技术研究与应用
No full text【目的】在数据密集型和融合科学新范式下，迫切需要传统的数据共享服务向数据知识化服务转化，使用语义关联技术在海量科学数据间进行知识组织、关联、发现正是解决这个问题的核心路径。【方法】本文对国内外数据关联技术总体现状、领域应用研究进展进行了广泛调研，对结构化数据关联发布、长文本语义挖掘和数据关联融合服务等关键技术进行了深入研究,初步实现了领域科学数据的关联化组织发布和语义化融合服务。【结果】在化学、植物及微生物数据中心展开应用实践，验证了科学数据语义关联融合技术是实现数据知识化服务的可行且重要手段。【结论】未来由各领域数据中心建立起来的科学数据关联融合网络将成为服务科研新范式需求的重要数据基础设施
On the differences between periodic domain and fluidized bed
No full textTo understand the effects of macroscale constraints on fluidization, we investigate the differences between the periodic domain and realistic bed by using fine-grid simulations. The differences in these two systems are highlighted by identifying three force-balance conditions with respect to the gas - phase, solid-phase and the mixture, respectively. Specifically, these three conditions are not satisfied at the microscale, but satisfied at the macroscale in both systems; Over the mesoscale, the gas-phase force balance is established in the periodic domain and in the fluidized bed at bubbling states, but not at tur- bulent states, whereas the solid-phase and the mixture force balance conditions are established only in the periodic domain, not in the realistic bed. The influence of the bounding wall can be implicitly included by introducing the gas-phase pressure gradient, turbulent kinetic energies (TKEs) of gas and solids phases, and drift velocity as the markers for the drag force.(c) 2022 Elsevier Ltd. All rights reserved
Incorporation of a Boron-Nitrogen Covalent Bond Improves the Charge-Transport and Charge-Transfer Characteristics of Organoboron Small-Molecule Acceptors for Organic Solar Cells
No full textAn organoboron small-molecular acceptor (OSMA) M-B <- N containing a boron-nitrogen coordination bond (B <- N) exhibits good light absorption in organic solar cells (OSCs). In this work, based on M-B <- N, OSMA MB-N, with the incorporation of a boron-nitrogen covalent bond (B-N), was designed. We have systematically investigated the charge-transport properties and interfacial charge-transfer characteristics of MB-N, along with M-B <- N, using the density functional theory (DFT) and the time-dependent density functional theory (TD-DFT). Theoretical calculations show that MB-N can simultaneously boost the open-circuit voltage (from 0.78 V to 0.85 V) and the short-circuit current due to its high-lying lowest unoccupied molecular orbital and the reduced energy gap. Moreover, its large dipole shortens stacking and greatly enhances electron mobility by up to 5.91 x 10(-3) cm(2)Greek ano teleiaV(-1)Greek ano teleias(-1). Notably, the excellent interfacial properties of PTB7-Th/MB-N, owing to more charge transfer states generated through the direct excitation process and the intermolecular electric field mechanism, are expected to improve OSCs performance. Together with the excellent properties of MB-N, we demonstrate a new OSMA and develop a new organoboron building block with B-N units. The computations also shed light on the structure-property relationships and provide in-depth theoretical guidance for the application of organoboron photovoltaic materials
Extraction of valuable metals from minerals and industrial solid wastes via the ammonium sulfate roasting process: A systematic review
No full textThe concept of a "low-carbon economy" will drive the accelerated deployment of clean energy technologies, which, in turn, will lead to rapid growth in demand for metal resources. In addition to traditional mineral re-sources, industrial solid wastes commonly contain numerous valuable metals, however, owing to their complex composition, improper treatment may cause serious environmental pollution. Considering the requirement for sustainable development of society, there is an urgent need for a clean, efficient, economical, and sustainable technology for the extraction of valuable metals from various minerals (especially low-grade mineral resources and tailings) and industrial solid wastes. The ammonium sulfate roasting method has the advantages of high metal recovery, good reaction selectivity, environmental friendliness, and low energy consumption, which is a promising roasting technique. Nevertheless, its promotion is hampered by the absence of a comprehensive and systematic understanding. This article provides a comprehensive overview of recovering valuable metals from various minerals and industrial solid wastes by ammonium sulfate roasting, the mechanism of extracting valu-able metals is summarized, and the potential of the method is discussed. Furthermore, based on the above comprehensive discussion, future research is suggested to focus on improving the utilization of ammonium sulfate and the recovery of ammonia and sulfur. This technology provides new ideas for the effective treatment of low-grade mineral resources, tailings, and industrial solid wastes, and is of great significance to the clean pro-duction of society
Evaluating the Degradation Process of Collagen Sponge and Acellular Matrix Implants In Vivo Using the Standardized HPLC-MS/MS Method
No full textThe purpose of this study was to establish a collagen determination method based on an isotope-labeled collagen peptide as an internal reference via high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS), and using the established method to evaluate the degradation process of collagen-based implants in vivo. The specific peptide (GPAGPQGPR) of bovine type I collagen was identified with an Orbitrap mass spectrometer. Then, the quantification method based on the peptide detection with HPLC-MS/MS was established and validated, and then further used to analyze the degradation trend of the collagen sponge and acellular matrix (ACM) in vivo at 2, 4, 6, 8, 12, 16, and 18 weeks after implantation. The results indicate that the relative standard deviation (RSD) of the detection precision and repeatability of the peptide-based HPLC-MS/MS quantification method were 3.55% and 0.63%, respectively. The limitations of quantification and detection were 2.05 x 10(-3) mu g/mL and 1.12 x 10(-3) mu g/mL, respectively. The collagen sponge and ACM were completely degraded at 10 weeks and 18 weeks, respectively. Conclusion: A specific peptide (GPAGPQGPR) of bovine type I collagen was identified with an Orbitrap mass spectrometer, and a standardized HPLC-MS/MS-based internal reference method for the quantification of bovine type I collagen was established. The method can be used for the analysis of the degradation of collagen-based implants in vivo
Time-resolved particle-scale dynamics of a particle-laden jet
No full textParticle-laden jet flow is important to both jet-related industry applications and transmission of the virus through violent expiratory events, such as coughing and sneezing. To help understand its dynamics from the particle level, we develop a time-resolved, three-dimensional (3D), particle tracking velocimetry method, coupled with particle image velocimetry measurement of gas flow, and perform experiments on a dilute particle-laden gas jet. The spatial distributions of velocity and fluctuating velocity of the gas and particles are obtained. It is found that the presence of particles significantly changes the gas turbulence and stretch the gas flow field to the downstream. The probability density function of axial particle velocity shows non-Gaussian distribution and deviates much from those of the spanwise velocities, indicating strong non-equilibrium and anisotropic states. A new drag model is derived based on the reconstructed particle trajectories and gas flow field near the ejector exit with particle Reynolds numbers between 30 and 300. It is found in better agreement with the experimental data than the standard single-particle drag model. A simple model relating the particle volume fraction with particle displacement is developed based on the self-similarity theory of jet, showing good agreement with the experimental measurement
A novel force balance model for predicting defluidization of ilmenite in a fluidized bed reactor
No full textIlmenite particles are readily defluidized when they are reduced in a fluidized bed reactor because nano-micro iron nuclei that precipitate on the particle surface are adhesive and tend to aggregate. We propose herein a novel force balance model with which to predict defluidization phenomena. This model is based on the particle cohesion force comprising the sum of the cohesion forces for surface asperities. As the surface coverage of iron particles increases with the extent of reduction, the cohesion forces of the particles gradually increase and eventually trigger defluidization. The surface coverage predicted by the model agrees well with experimental results for 88.4 - 154.7 mu m particles and the temperature range 700 - 850 degrees C. The new force balance model reveals that particle size, sphericity, and temperature play key roles in defluidization of ilmenite during reduction. Defluidization occurs readily for fine and irregular particles, especially at high temperatures. Our model combines asperity, surface coverage, and particle sphericity to make a more general prediction