Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

X-ray diffraction and TGA kinetic analyses for chemical looping combustion applications.

ABSTRACT: Synthesis and characterization of supported metal-based oxygen carriers were carried out to provide information related to the use of oxygen carriers for chemical looping combustion processes. The Cu, Co, Fe, Ni metals supported with Al2O3, CeO2, TiO2, ZrO2 were prepared using the wetness impregnation technique. Then, the X-ray Diffraction (XRD) characterization of oxidized and reduced samples was obtained and presented. The kinetic analysis using Thermogravimetric analyzer (TGA) of the synthesized samples was conducted. The kinetics of reduction reaction of all samples were estimated and explained.

SUBMITTER: Tijani MM

PROVIDER: S-EPMC5988455 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

X-ray diffraction and TGA kinetic analyses for chemical looping combustion applications.

Tijani Mansour Mohammedramadan MM Aqsha Aqsha A Mahinpey Nader N

Data in brief 20171221

Synthesis and characterization of supported metal-based oxygen carriers were carried out to provide information related to the use of oxygen carriers for chemical looping combustion processes. The Cu, Co, Fe, Ni metals supported with Al2O3, CeO2, TiO2, ZrO2 were prepared using the wetness impregnation technique. Then, the X-ray Diffraction (XRD) characterization of oxidized and reduced samples was obtained and presented. The kinetic analysis ...[more]

PMID: 29876387

Similar Datasets

Kinetics and thermodynamics dataset of iron oxide reduction using torrefied microalgae for chemical looping combustion.

Project description:The reduction of iron oxides transpires through the application of heat wherein a carbon source known as reductant is required. In order to design a chemical looping combustion using iron as an oxygen carrier and torrefied microalgae biomass as a reductant, the kinetics and thermodynamics dataset must be determined. Using the Arrhenius law of reaction, the kinetics dataset was obtained employing the three chemical reaction model such as the first order (C1), the reaction order 1.5 (C1.5), and the second-order (C2). The iron oxide reduction from hematite to metallic iron was sub-divided into three phases wherein phase 1 (Fe2O3 ? Fe3O4) is from 365 °C to 555 °C, phase 2 (Fe3O4 ? FeO) is from 595 °C to 799 °C, and phase 3 (FeO ? Fe) is from 800 °C to 1200 °C. Two torrefied microalgae (Chlamydomonas sp. JSC4 and Chlorella vulgaris ESP-31) were considered as a reducing agent. The kinetics dataset comprise of the activation energy (E), pre-exponential factor (A), and the reaction rate (k) while the thermodynamic dataset consists of the change in enthalpy (?H), change in Gibbs energy (?G), and change in entropy (?S). These kinetics and thermodynamics parameters are essential in understanding the reaction mechanisms of the reduction process of iron oxides enabling process optimization and improvement. Current literature lacks the kinetics and thermodynamics datasets for the reduction of iron oxides using the two torrefied microalgae as reductants. This work provides these datasets which are useful for the design of reactors in chemical looping combustion.

| S-EPMC7033322 | biostudies-literature

Process Modelling of Chemical Looping Combustion of Paper, Plastics, Paper/Plastic Blend Waste, and Coal.

Project description:Chemical looping combustion (CLC) is a novel carbon capture and storage technology that can be used in the proper disposal of municipal solid waste when used as a solid fuel. In this study, the results of the CLC of paper, plastics, and paper/plastic blends were compared with CLC of South African coal using Chemcad software. The simulation was done for two different CLC processes, namely, chemical looping oxygen uncoupling (CLOU) and in situ gasification CLC (IG-CLC). The results demonstrated that coal at 66% had a lower CO2 yield than paper (86%) but a higher yield than all the plastic samples in CLOU (3356%) and an equal CO2 yield in paper and all plastic samples in IG-CLC. Furthermore, coal had a lower CO2 gas yield than all the optimum blends (72-85%) for CLOU and an equal yield with the entire paper/plastic blend in IG-CLC. On combustion efficiency, coal has a lower combustion efficiency at 80% than paper and polyvinyl chloride (PVC) at 90 and 96%, respectively, but a higher efficiency than other plastic samples that are between 30 and 70% in CLOU while in IG-CLC, it had a lower efficiency than paper, PVC, and polyethylene terephthalate and higher efficiency than high-density polyethylene, low-density polyethylene, polypropylene, and polystyrene. For paper/plastic blends, coal has higher combustion efficiency than all the paper/plastic blends in both CLOU and IG-CLC processes except for the paper/PVC where the combustion efficiency was higher than coal.

| S-EPMC7482306 | biostudies-literature

Simulation and Optimization of a Multistage Interconnected Fluidized Bed Reactor for Coal Chemical Looping Combustion.

Project description:This work established a three-dimensional model of a chemical looping system with multistage reactors coupled with hydrodynamics and chemical reactions. The thermal characteristics in the chemical looping combustion (CLC) system were simulated using coal as fuel and hematite as an oxygen carrier (OC). Some significant aspects, including gas composition, particle residence time, backmixing rate, wall erosion, carbon capture rate, etc., were investigated in the simulation. Owing to the optimization by adding baffles in the fuel reactor (FR), the gas conversion capacity of the multistage FR was high, where the outlet CO2 concentration was as high as 93.8% and the oxygen demand was as low as 3.8%. Through tracing and analyzing the path of char particles, we found that the residence time of most char particles was too short to be fully gasified. The residual char will be entrained into the air reactor (AR), reducing the CO2 capture rate, which is only 80.3%. In the simulation, the wall erosion on the cyclone could be relieved by increasing the height of the horizontal pipe. In addition, improving the structure of the AR loop seal could control the residual char entrained by OC particles to the AR, and the CO2 capture rate was increased up to 90% in the multistage CLC reactor.

| S-EPMC9670705 | biostudies-literature

Chemical crystallography by serial femtosecond X-ray diffraction.

Project description:Inorganic-organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties1. This proliferation has led to a characterization bottleneck: many hybrid materials are obligate microcrystals with low symmetry and severe radiation sensitivity, interfering with the standard techniques of single-crystal X-ray diffraction2,3 and electron microdiffraction4-11. Here we demonstrate small-molecule serial femtosecond X-ray crystallography (smSFX) for the determination of material crystal structures from microcrystals. We subjected microcrystalline suspensions to X-ray free-electron laser radiation12,13 and obtained thousands of randomly oriented diffraction patterns. We determined unit cells by aggregating spot-finding results into high-resolution powder diffractograms. After indexing the sparse serial patterns by a graph theory approach14, the resulting datasets can be solved and refined using standard tools for single-crystal diffraction data15-17. We describe the ab initio structure solutions of mithrene (AgSePh)18-20, thiorene (AgSPh) and tethrene (AgTePh), of which the latter two were previously unknown structures. In thiorene, we identify a geometric change in the silver-silver bonding network that is linked to its divergent optoelectronic properties20. We demonstrate that smSFX can be applied as a general technique for structure determination of beam-sensitive microcrystalline materials at near-ambient temperature and pressure.

| S-EPMC8770144 | biostudies-literature

Particulate Formation from a Copper Oxide-Based Oxygen Carrier in Chemical Looping Combustion for CO2 Capture.

Project description:Attrition behavior and particle loss of a copper oxide-based oxygen carrier from a methane chemical looping combustion (CLC) process was investigated in a fluidized bed reactor. The aerodynamic diameters of most elutriated particulates, after passing through a horizontal settling duct, range between 2 and 5 ?m. A notable number of submicrometer particulates are also identified. Oxygen carrier attrition was observed to lead to increased CuO loss resulting from the chemical looping reactions, i.e., Cu is enriched in small particles generated primarily from fragmentation in the size range of 10-75 ?m. Cyclic reduction and oxidation reactions in CLC have been determined to weaken the oxygen carrier particles, resulting in increased particulate emission rates when compared to those of oxygen carriers without redox reactions. The generation rate for particulates <10 ?m was found to decrease with progressive cycles over as-prepared oxygen carrier particles and then reach a steady state. The surface of the oxygen carrier is also found to be coarsened due to a Kirkendall effect, which also explains the enrichment of Cu on particle surfaces and in small particles.

| S-EPMC6149217 | biostudies-literature

Chemical Kinetic Model of Multicomponent Gasoline Surrogate Fuel with Nitric Oxide in HCCI Combustion.

Project description:This study presents a simplified mechanism of a five-component gasoline surrogate fuel (TDRF-NO) that includes n-heptane, isooctane, toluene, diisobutylene (DIB) and nitric oxide (NO). The mechanism consists of 119 species and 266 reactions and involves TDRF and NO submechanisms. Satisfactory results were obtained in simulating HCCI combustion in engines. The TDRF submechanism is based on the simplified mechanism of toluene reference fuel (TRF) and adds DIB to form quaternary surrogate fuel for gasoline. A simplified NO submechanism containing 33 reactions was added to the simplified mechanism of TDRF, considering the effect of active molecular NO on the combustion of gasoline fuel. The ignition delay data of the shock tube under different pressure and temperature conditions verified the validity of the model. Model verification results showed that the ignition delay time predicted by the simplified mechanism and its submechanics were consistent with the experimental data. The addition of NO caused the ignition delay time of the mechanism simulation to advance with increasing concentration of NO added. The established simplified mechanism effectively predicted the actual combustion and ignition of gasoline.

| S-EPMC7287883 | biostudies-literature

Synthesis, X-ray diffraction, thermogravimetric and DFT analyses of pyrimidine derivatives.

Project description:An eco-benign synthesis of pyrimidine derivatives 2a,b containing different functional groups with different electronic character starting from nitroalkenes 1a and 2b has been described. The structures for 1a and 2a,b have been characterized by single crystal X-ray diffraction analysis. The thermal data of the molecules pointed towards important structural aspects of their stability. The mechanism of their thermal decomposition is discussed. The thermodynamic parameters of the dissociation steps were evaluated and discussed. DFT calculations reveal that the compound 1a possesses a high calculated dipole moment value (8.28 D) which indicates its high reactivity towards its surrounding molecules.

| S-EPMC6271542 | biostudies-literature

Hydrotalcite-Derived Copper-Based Oxygen Carrier Materials for Efficient Chemical-Looping Combustion of Solid Fuels with CO2 Capture.

Project description:Chemical-looping combustion (CLC) is a promising technology that utilizes metal oxides as oxygen carriers for the combustion of fossil fuels to CO2 and H2O, with CO2 readily sequestrated after the condensation of steam. Thermally stable and reactive metal oxides are desirable as oxygen carrier materials for the CLC processes. Here, we report the performance of Cu-based mixed oxides derived from hydrotalcite (also known as layered double hydroxides) precursors as oxygen carriers for the combustion of solid fuels. Two types of CLC processes were demonstrated, including chemical looping oxygen uncoupling (CLOU) and in situ gasification (iG-CLC) in the presence of steam. The Cu-based oxygen carriers showed high performance for the combustion of two solid fuels (a lignite and a bituminous coal), maintaining high thermal stability, fast reaction kinetics, and reversible oxygen release and storage over multiple redox cycles. Slight deactivation and sintering of the oxygen carrier occurred after redox cycles at an very high operation temperature of 985 °C. We expect that our material design strategy will inspire the development of better oxygen carrier materials for a variety of chemical looping processes for the clean conversion of fossil fuels with efficient CO2 capture.

| S-EPMC9483923 | biostudies-literature

Data Ecosystems for Scientific Experiments: Managing Combustion Experiments and Simulation Analyses in Chemical Engineering.

Project description:The development of scientific predictive models has been of great interest over the decades. A scientific model is capable of forecasting domain outcomes without the necessity of performing expensive experiments. In particular, in combustion kinetics, the model can help improving the combustion facilities and the fuel efficiency reducing the pollutants. At the same time, the amount of available scientific data has increased and helped speeding up the continuous cycle of model improvement and validation. This has also opened new opportunities for leveraging a large amount of data to support knowledge extraction. However, experiments are affected by several data quality problems since they are a collection of information over several decades of research, each characterized by different representation formats and reasons of uncertainty. In this context, it is necessary to develop an automatic data ecosystem capable of integrating heterogeneous information sources while maintaining a quality repository. We present an innovative approach to data quality management from the chemical engineering domain, based on an available prototype of a scientific framework, SciExpeM, which has been significantly extended. We identified a new methodology from the model development research process that systematically extracts knowledge from the experimental data and the predictive model. In the paper, we show how our general framework could support the model development process, and save precious research time also in other experimental domains with similar characteristics, i.e., managing numerical data from experiments.

| S-EPMC8479200 | biostudies-literature

A newly designed microspectrofluorometer for kinetic studies on protein crystals in combination with x-ray diffraction.

Project description:We present a new design for a fluorescence microspectrophotometer for use in kinetic crystallography in combination with x-ray diffraction experiments. The FLUMIX device (Fluorescence spectroscopy to monitor intermediates in x-ray crystallography) is built for 0 degrees fluorescence detection, which has several advantages in comparison to a conventional fluorometer with 90 degrees design. Due to the reduced spatial requirements and the need for only one objective, the system is highly versatile, easy to handle, and can be used for many different applications. In combination with a conventional stereomicroscope, fluorescence measurements or reaction initiation can be performed directly in a hanging drop crystallization setup. The FLUMIX device can be combined with most x-ray sources, normally without the need of a specialized mechanical support. As a biological model system, we have used H-Ras p21 with an artificially introduced photo-labile GTP precursor (caged GTP) and a covalently attached fluorophore (IANBD amide). Using the FLUMIX system, detailed information about the state of photolyzed crystals of the modified H-Ras p21 (p21(mod)) could be obtained. Measurements in combination with a synchrotron beamline showed significant fluorescence changes in p21(mod) crystals even within a few seconds of x-ray exposure at 100 K.

| S-EPMC1563776 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data