Catalogue Search | MBRL
Search Results Heading
Explore the vast range of titles available.
MBRLSearchResults
-
DisciplineDiscipline
-
Is Peer ReviewedIs Peer Reviewed
-
Item TypeItem Type
-
SubjectSubject
-
YearFrom:-To:
-
More FiltersMore FiltersSourceLanguage
Done
Filters
Reset
22,971
result(s) for
"Reaction synthesis"
Sort by:
Practical Approbation of Thermodynamic Criteria for the Consolidation of Bimetallic and Functionally Gradient Materials
by
Shishkovsky, Igor
,
Erisov, Yaroslav
,
Razzhivin, Vasilii
in
adhesive consolidation criteria
,
Adhesive joints
,
Aluminum base alloys
2021
This study concerns the key problem of determining the conditions for the consolidation or fracture of bimetallic compounds and high-gradient materials with different coefficients of thermal expansion. The well-known approach to determining the strength is based on the assessment of the critical energy release rates during fracture, depending on the conditions of loading (the portion of shear loading). Unfortunately, most of the experimental results cannot be used directly to select suitable fracture toughness criteria before such a connection is made. This especially applies to the region of interphase interaction, when it is required to estimate the internal energy of destruction accumulated during the preparation of the joint in the adhesion layer within the range of 20–50 μm. Hence, criteria for the adhesive consolidation of bimetallic compound layers were obtained on the basis of the thermodynamics of nonequilibrium processes. The analysis of the quality of the joint using the obtained criteria was carried out on the basis of the calculation of isochoric and isobaric heat capacities and coefficients of thermal expansion of multiphase layers. The applicability of the criteria for the qualitative assessment of the adhesion of layers is demonstrated in the example of bimetallic joints of steel 316L—aluminum alloy AlSi10Mg obtained by the SLM method at various fusion modes.
Journal Article
Reaction mining for reaction systems
by
Koutny, Maciej
,
Penczek, Wojciech
,
Męski, Artur
in
Artificial Intelligence
,
Chemical synthesis
,
Complex Systems
2024
Reaction systems are a formal model for computational processing in which reactions operate on sets of entities (molecules) providing a framework for dealing with qualitative aspects of biochemical systems. This paper is concerned with reaction systems in which entities can have discrete concentrations, and so reactions operate on multisets rather than sets of entities. The resulting framework allows one to deal with quantitative aspects of reaction systems, and a bespoke linear-time temporal logic allows one to express and verify a wide range of key behavioural system properties. In practical applications, a reaction system with discrete concentrations may only be partially specified, and the possibility of an effective automated calculation of the missing details provides an attractive design approach. With this idea in mind, the current paper discusses parametric reaction systems with parameters representing unknown parts of hypothetical reactions. The main result is a method aimed at replacing the parameters in such a way that the resulting reaction system operating in a specified external environment satisfies a given temporal logic formula.This paper provides an encoding of parametric reaction systems in
smt
, and outlines a synthesis procedure based on bounded model checking for solving the synthesis problem. It also reports on the initial experimental results demonstrating the feasibility of the novel synthesis method.
Journal Article
Two-step machine learning enables optimized nanoparticle synthesis
by
Zheng, Fang
,
Kedar, Hippalgaonkar
,
Tian Isaac Parker Siyu
in
Absorbance
,
Artificial neural networks
,
Bayesian analysis
2021
In materials science, the discovery of recipes that yield nanomaterials with defined optical properties is costly and time-consuming. In this study, we present a two-step framework for a machine learning-driven high-throughput microfluidic platform to rapidly produce silver nanoparticles with the desired absorbance spectrum. Combining a Gaussian process-based Bayesian optimization (BO) with a deep neural network (DNN), the algorithmic framework is able to converge towards the target spectrum after sampling 120 conditions. Once the dataset is large enough to train the DNN with sufficient accuracy in the region of the target spectrum, the DNN is used to predict the colour palette accessible with the reaction synthesis. While remaining interpretable by humans, the proposed framework efficiently optimizes the nanomaterial synthesis and can extract fundamental knowledge of the relationship between chemical composition and optical properties, such as the role of each reactant on the shape and amplitude of the absorbance spectrum.
Journal Article
The conversion technology of fly ash into zeolites
2014
This paper presents a sub-pilot scale process of synthesis of Na-P1 zeolite from the coal fly ash. After establishing the appropriate synthesis conditions (20 kg of fly ash, 12 kg of NaOH, 90 dm
3
of water, the reaction temperature: 80 °C and reaction time: 36 h), the high-purity (81 wt%) Na-P1 zeolite product was obtained. Its chemical, mineralogical, and textural properties were determined (by means of XRD, XRF, SEM–EDS and ASAP 2020). The synthesized material has a specific BET surface area (88 m
2
/g) c.a. six times higher than the fly ash from which it has been derived (15 m
2
/g). The pore-size distribution indicates a mesoporous character of the obtained zeolite, with the following pores size contents: micropores (2.76 %), mesopores (61.81 %), and macropores (35.43 %). The presented technological/production line is fully automated and allows to regulate the conditions of the synthesis process, therefore different types of zeolite materials (including: Na-X, Linde-A, and Na-P1) can be obtained using the same equipment.
Journal Article
Novel advancements in synthesis, modulation, and potential applications of conjugated microporous polymer-based materials
by
El Jery, Atef
,
Yan, Xiao
,
Ajmal, Zeeshan
in
Conjugated microporous polymers
,
Functionalization
,
Morphologies
2025
Conjugated microporous polymers (CMPs) are a unique class of organic porous materials characterized by π-conjugated structures and permanent micropores, distinguishing them from non-porous polymers and conventional π-conjugated polymers. CMPs offer extensive versatility in synthetic approaches, enabling the synthesis of cross-linked and mesoporous structures. Advances in chemical processes, structural design, and synthesis methodologies have been developed, resulting in a diverse range of CMPs with unique configurations and properties, contributing to the fast expansion of the field. CMPs are particularly notable for their ability to enable the competitive utilization of π-conjugated structures within mesoporous configurations, making them valuable for investigations across various domains. They have shown considerable promise in addressing fuel and environmental challenges, demonstrated by their exceptional performance in applications such as vapor adsorption, heterogeneous catalysis, light emission, light harvesting, and energy generation. This review examines the chemical engineering principles underlying CMPs, including synthesis approaches, systemic research advancements, multifunctional investigations boundaries, potential applications, and progress in synthesis, dimensionality, and morphology studies. Specifically, it offers a comparative analysis of CMPs and linear polymeric materials, aiding in the development of functional polymers. Furthermore, this review explores the primary fundamental limitations of CMPs in fuel-related domains and discusses alternative strategies, including novel synthesis methods incorporating interactions and morphologies, to address these challenges. Ultimately, this assessment aims to provide a valuable and inspiring resource for professionals in the field of fuel management, guiding future research and development efforts.
Journal Article
The influence of different ratio of Sn4+ and Bi3+ on n-p SnO2/α∼ Bi2O3 composite structure and its photocatalytic properties by solid phase synthesis
2022
In this study, a novel n-p SnO2/α∼Bi2O3 composites were synthesized by the convenient and rapid in-situ solid-phase reaction synthesis. The different influence of ratios: n (Sn: Bi) = 2/1, 3/1, 1/1, 1/2 and 1/3 on the crystal shape, microstructure, specific surface area, optical absorption properties of the material and the separation ability of photocarriers were discussed. The study shows that: compared with pure SnO2, the light absorption boundary of all the composites have been widened to the visible light region, the larger the ratio of Sn in the sample, the more conducive it is to absorbing the visible light. However, greater ratio of Sn4+ ions in the sample will lead to a decrease in the separation ability of photo electrons and holes. Of which n(Sn: Bi) = 2/1 composite, photoelectrons and holes have the strongest separation ability. The Rhodamine B (Rh. B) solution can be almost completely decolorized within about 30 minutes under 400W halide light irradiation. The chemical reaction mechanism in the sample synthesis process was discussed in detail. This study not only synthesized excellent n-p SnO2/α∼Bi2O3 photocatalytic composites, but also provides references for in-situ synthesis of other semiconductors.
Journal Article
Effect of lanthanum doping on structural, optical, and photocatalytic properties of YVO4
by
Yildirim, Ozlem Altintas
,
Karacaoglu, Erkul
,
Ozturk, Teoman
in
Absorption spectra
,
Applied and Technical Physics
,
Biomaterials
2023
In this study, we report the solid-state reaction synthesis of yttrium vanadate (YVO
4
)-based undoped and lanthanum (La)-doped powders. The photocatalytic performances, structural, morphological, and optical analyzes are presented. The X-ray diffraction analysis of samples indicates the crystalline tetragonal type crystal structure of YVO
4
and no other lanthanum related impurity and/or secondary phases were detected. Photoluminescence analysis of samples show combined white light emission peaks that appeared at 478, 571 and 613 nm. To examine the photocatalytic activities, the degradation of methylene blue (MB) dye was monitored in the presence of these photocatalysts under the ultraviolet light irradiation. Pseudo-first-order reaction rate constant (k) of YVO
4
:La
3+
(0.00846 min
−1
) is determined 66% greater than undoped one (0.00287 min
−1
). These results are compatible with the absorption spectra, as the energy band gap of the undoped photocatalyst was 3.8 eV while that of the doped one decreased to 3.54 eV.
Graphical abstract
Journal Article
Porous Fe−N−C Aerogels Derived from Metal‐Organic Aerogels as Electrocatalysts for the Oxygen Reduction Reaction
by
Tu, Rongxiu
,
Hou, Chuantao
,
Wang, Zonghua
in
electrocatalysis
,
metal-organic aerogels
,
oxygen reduction reaction
2022
Synthesis of Fe−N−C electrocatalysts by pyrolysis of porous materials has been shown to be a promising pathway for the oxygen reduction reaction (ORR). Metal‐organic aerogels (MOAs) with unique micropores and mesopores should provide an excellent precursor for Fe−N−C electrocatalysts. This work reports a Fe−N−C aerogel synthesized by pyrolysis of MOA. The Fe−N−C aerogel shows excellent ORR performance in alkaline condition with an onset potential of 0.96 V (vs. RHE) and a limiting current density of 5.02 mA cm−2. The markedly enhanced ORR performance for Fe−N−C aerogel can be assigned to the synergistic catalytic effect between Fe−N catalytic sites and graphitized carbon and excellent mass transport due to the unique hierarchically porous architecture. In addition, satisfactory durability and methanol tolerance were obtained, demonstrating a promising material for ORR. A porous Fe−N−C aerogel catalyst was synthesized by pyrolysis of porous metal‐organic aerogels. The Fe−N−C aerogel shows enhanced catalytic performance for oxygen reduction reaction (ORR) under alkaline condition. The markedly enhanced ORR performance for Fe−N−C aerogel can be assigned to the synergistic catalytic effect between Fe−N catalytic sites and graphitized carbon and excellent mass transport due to the unique hierarchically porous architecture.
Journal Article
Enhanced cathodic activity by tantalum inclusion at B-site of La0.6Sr0.4CO0.4Fe0.6O3 based on structural property tailored via camphor-assisted solid-state reaction
2022
Lanthanum strontium cobalt ferrite (LSCF) is an appreciable cathode material for solid oxide fuel cells (SOFCs), and it has been widely investigated, owing to its excellent thermal and chemical stability. However, its poor oxygen reduction reaction (ORR) activity, particularly at a temperature of ⩽ 800 °C, causes setbacks in achieving a peak power density of > 1.0 W·cm
−2
, limiting its application in the commercialization of SOFCs. To improve the ORR of LSCF, doping strategies have been found useful. Herein, the porous tantalum-doped LSCF materials (La
0.6
Sr
0.4
Co
0.4
Fe
0.57
Ta
0.03
O
3
(LSCFT-0), La
0.6
Sr
0.4
Co
0.4
Fe
0.54
Ta
0.06
O
3
, and La
0.6
Sr
0.4
Co
0.4
Fe
0.5
Ta
0.1
O
3
) are prepared via camphor-assisted solid-state reaction (CSSR). The LSCFT-0 material exhibits promising ORR with area-specific resistance (ASR) of 1.260, 0.580, 0.260, 0.100, and 0.06 Ω·cm
2
at 600, 650, 700, 750, and 800 C, respectively. The performance is about 2 times higher than that of undoped La
0.6
Sr
0.4
Co
0.4
Fe
0.6
O
3
with the ASR of 2.515, 1.191, 0.596, 0.320, and 0.181 Ω·cm
2
from the lowest to the highest temperature. Through material characterization, it was found that the incorporated Ta occupied the B-site of the material, leading to the enhancement of the ORR activity. With the use of LSCFT-0 as the cathode material for anode-supported single-cell, the power density of > 1.0 W·cm
−2
was obtained at a temperature < 800 °C. The results indicate that the CSSR-derived LSCFT is a promising cathode material for SOFCs.
Journal Article
Rapid humification of cotton stalk catalyzed by coal fly ash and its excellent cadmium passivation performance
by
Su, Xintai
,
Liu, Yongqi
,
He, Xiaoyan
in
Agricultural land
,
Agricultural pollution
,
agricultural soils
2024
Due to industrialization, soil heavy metal pollution is a growing concern, with humic substances (HS) playing a pivotal role in soil passivation. To address the long duration of the compost humification problem, coal fly ash (CFA) in situ catalyzes the rapid pyrolysis of the cotton stalk (CS) to produce HS to address Cd passivation. Results indicate that the highest yield of humic acid (HA) (8.42%) and fulvic acid (FA) (1.36%) is obtained when the CS to CFA mass ratio is 1:0.5, at 275 ℃ for 120 min. Further study reveals that CFA catalysis CS humification, through the creation of alkaline pyrolysis conditions, Fe
2
O
3
can stimulate the protein and the decomposition of hemicellulose in CS, and then, through the Maillard and Sugar-amine condensation reaction synthesis HA and FA. Applying HS-CS&CFA in Cd-contaminated soil demonstrates a 26.69% reduction in exchangeable Cd within 30 days by chemical complexation. Excellent maize growth effects and environmental benefits of HS products are the prerequisites for subsequent engineering applications. Similar industrial solid wastes, such as steel slag and red mud, rich in Fe
2
O
3
, can be explored to identify their catalytic humification effect. It could provide a novel and effective way for industrial solid wastes to be recycled for biomass humification and widely applied in remediating Cd-contaminated agricultural soil.
Journal Article