1056 research outputs found
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Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network"
No full textThis dataset contains data from the computational modelling studies performed in the above article, viz. the optimised structures of the three compounds examined and their calculated dielectric properties
Small scale AD database
No full textLiterature data with regards to small scale anaerobic digestion applicationsData regarding anaerobic digestion (AD) applications was gathered from literature and analysed to evaluate the current status of small-scale AD technology and feedstocks, to develop a better understanding of the sustainability of AD systems, and to explore any trends or correlations within the data. The database was constructed based on small-scale AD applications (< 1,000 m3), and targeting the most common operational parameters which control the process, e.g. reactor type and volume (m3), temperature (o C), hydraulic retention time (HRT, d), organic loading rate (OLR, Kg COD m-3d-1), COD removal efficiency (%) and biogas yield (m3 biogas Kg-1 VS added).
The data was sorted based on the scale of application (full scale, pilot, lab, feasibility studies), and the type of the feedstock treated and its composition. The targeted feedstocks were food waste, source separated waste (black water) and sewage. Farm and animal waste was also included as a reference point. Where needed, the literature data was reprocessed to standardise values and to fill in the gaps of information. As a result, a database of small-scale AD systems was built, based on size classifications used by the original authors.In case of gaps in the literature data, simple mass balance calculations were used complete the data. Unless specified in the literature, a standard temperature of 35 0 C was used, corresponding to mesophilic conditions
Thermodynamic insights and assessment of the circular economy - dataset
No full textData supporting analysis in this study and detailed results, as described in study ('Supplementary Information'). Three excel spreadsheets: Detailed results; Details of circular economy approaches modeled and modelling parameters; Parameters used to enable exergy analysisDetailed in:
Cooper, S. J. G., Giesekam, J., Hammond, G. P., Norman, J. B., Owen, A., Rogers, J. G., and Scott, K. (2017). Thermodynamic insights and assessment of the “circular economy.” Journal of Cleaner Production. https://doi.org/10.1016/j.jclepro.2017.06.16
Dataset for "Defining the flexibility window in ordered aluminosilicate zeolites"
No full textThis is a dataset for manuscript "Defining the flexibility window in ordered aluminosilicate zeolites". In this dataset there are three folders: PEARL_High-PressureDataOctober2012; PEARLDecember2011 and SimulationsFilesForAlBarPaper
1) PEARL_High-PressureDataOctober2012 contains:
PEARL instrument raw data for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
GSAS data for for BrSOD in ethanol-methanol-water solvent, NaOH-SOD in fluorinate, NaOH-SOD in ethanol-methanol-water and plain NaOH in vanadium can.
Cell parameters were analysed in EXCEL and are in files labeled alldata.
Calibration files include: Lead.xls, PEARL_123.ipf.
2) PEARLDecember2011 contains:
All refinements done for the data in GSAS
3)SimulationsFilesForAlBarPaper contains:
files for running GASP program;
result files for the simulations and analysis;
high-pressure data files;
analysis of high-pressure files.High-pressure data, refinements, analysis
Geometric simulationData were collected as .raw files.
Data were refined using GSAS free software.
Refined data were analysed using Excel.GSAS, Exce
Dataset for "Nanostructured WO3 photoanodes for efficient water splitting via anodisation in citric acid"
No full textResearch data files for paper "Nanostructured WO3 photoanodes for efficient water splitting via anodisation in citric acid". The data characterise the anodisation of tungsten using citric acid, and were collected from LSV (linear sweep voltammetry), SEM (scanning electron microscopy), IPCE (incident photon-to-current efficiency) measurements, XRD (X-ray diffraction), and UV-VIS (ultraviolet-visible spectroscopy).For full details of how the data were collected and processed, please see the corresponding paper, available from https://doi.org/10.1039/C7RA05342H
Dataset for modelling studies presented in 'Ultra-high discharged energy density capacitor using high aspect ratio Na0.5Bi0.5TiO3 nanofibers'
No full textData obtained from 2D finite element electrostatic model of a single high permittivity inclusion within a low permittivity matrix. The angle and aspect ratio of the inclusion has been varied and the local electric field in each element recorded and stored in the raw data files. Permittivity is recorded for each structure.
A compiled dataset is also included on the study of the effect of an interfacial layer between the high permittivity inclusion and low permittivity matrix on the electric field distribution within the composite. In this case the maximum field concentration within the matrix and the interfacial layer are recorded alongside the permittivity for varying interlayer thickness.Ansys APDL was used to create models and output data files are elemental solutions from structures with a single high permittivity inclusion in a low permittivity matrix, with varying aspect ratio and angle with respect to applied field, and a single high permittivity inclusion of varying aspect ratio with an interphase with varying thickness between the inclusion and the matrix.
Further details regarding the methodology behind the two models can be found in the paper 'Ultra-high discharged energy density capacitor using high aspect ratio Na0.5Bi0.5TiO3 nanofibers,' Journal of Materials Chemistry A 5 (2017) 7091-7102.Raw data output from Ansys for different aspect ratios and angles of a single high permittivity inclusion in a low permittivity matrix is contained in .csv files within the Raw Data.zip. Elemental solutions were read from each element formed during meshing of the model. Columns are as follows:
1: Element number 2: Element area 3: Electric field in element (x) 4: Electric field in element (y) 5: Electric field vector sum in element 6: Material number of element (1 = matrix, 4 = high permittivity inclusion (BNT))
Compiled data for the model looking at the effect of an interphase of varying thickness - column headings are given in file.
Electric field data are normalised to a magnitude of 1, i.e. the field applied across the model in the x-direction. For example an electric field of 3 in a given element has a local field three times greater than the applied field
Dataset for 'Breakdown in the case for materials with giant permittivity?'
No full textRaw data from 2D electrostatic finite element modelling study of a single conductive inclusion contained within a ferroelectric matrix. An external field was applied and the local electric field within each element was recorded and stored in the raw data files for varying inclusion aspect ratio and angle with respect to applied field. Permittivity data has also been recorded.The dataset contains element solution data from the model discussed in the 2017 paper 'Breakdown in the case for materials with giant permittivity?', ACS Energy Letters 2 (10), 2264-2269. Details of the modelling methodology are given in the paper.Data was output into .csv format. Columns are as follows:
1: Element number
2: Element area
3: Electric field in element (x)
4: Electric field in element (y)
5: Electric field vector sum
6: Material of element (1 = matrix, 11 = conductor phase)
6: Calculated relative permittivity of model
Electric field data are normalised to a magnitude of 1, i.e. the field applied externally in the model. For example, a local electric field of 3 in a given element is three times that of the applied field
Data Supporting: Surfactant-solvent interaction effects on the micellization of cationic surfactants in a carboxylic acid-based deep eutectic solvent
No full textThis dataset contains processed data in support of the named article. The folder includes small-angle neutron scattering data of different alkyltrimethylammonium bromides in choline chloride:malonic acid deep eutectic solvent.Small-angle neutron scattering (SANS) measurements were performed on SANS2d instrument at the STFC ISIS Pulsed Neutron and Muon Source, UK. Samples of different concentrations of akyltrimethylammonium bromides (alkyl=dodecyl, tetradecyl and hexadecyl) in 1:1 choline chloride:malonic acid and aqueous mixtures were measured in different isotopic substitutions at 50 ˚C.SANS data were reduced using the open source software MantidPlot, following the standard procedures of the beamline. Corrections were made for sample transmission, instrument geometry, incident flux and scattering from an empty cell.Output data consists of txt files in the standard format 1D I(q) vs. q (http://danse.chem.utk.edu/trac/wiki/NCNROutput1D_IQ), that can be used in any software available to fit SANS data
Dataset for "Healthy Architecture: promoting physical activity through building design"
No full textOriginal and reproduced data used to plot figures in the review article "Healthy Architecture: promoting physical activity through building design
Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy"
No full textData here represents raw computational and experimental data for the following work:
ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium ‘chains’. They preserve inversion symmetry independent of the number of layers and, in contrast to more well-known transition metal dichalcogenides, bulk and few-monolayer Re-TMD compounds have been proposed to behave as electronically and vibrational decoupled layers. Here, we probe for the first time the electronic band structure of bulk ReSe2 by direct nanoscale angle-resolved photoemission spectroscopy. We find a highly anisotropic in- and out-of-plane electronic structure, with the valence band maxima located away from any particular high-symmetry direction. The effective mass doubles its value perpendicular to the Re chains and the interlayer van der Waals coupling generates significant electronic dispersion normal to the layers. Our density functional theory calculations, including spin-orbit effects, are in excellent agreement with these experimental findings.Experimental data: angle resolved photoemission (ARPES) at the ANTARES beamline of the SOLEIL synchrotron, Paris
Computational data: generated by the Quantum Espresso code.Experimental data processed via proprietary SOLEIL macros within the commercial Igor data analysis software.SOLEIL macros, Igor code. Contact authors of this paper based at SOLEIL for more information
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