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76 results for “Potential energy”
Energy Harvesting Using a Nonlinear Resonator with Asymmetric Potential Wells
<p><strong>This repository contains</strong> the results of numerical simulations of a nonlinear bistable system for harvesting energy from ambient vibrating mechanical sources. Detailed model tests were carried out on an inertial energy harvesting system consisting of a piezoelectric beam with additional springs attached. The mathematical model was derived using the bond graph approach. Depending on the spring selection, the shape of the bistable potential wells was modified including the removal of wells’ degeneration. Consequently, the broken mirror symmetry between the potential wells led to additional solutions with corresponding voltage responses. The probability of occurrence for different high voltage/large orbit solutions with changes in potential symmetry was investigated. In particular, the periodicity of different solutions with respect to the harmonic excitation period were studied and compared in terms of the voltage output. The results showed that a large orbit period-6 subharmonic solution could be stabilized while some higher subharmonic solutions disappeared with the increasing asymmetry of potential wells. Changes in frequency ranges were also observed for chaotic solutions.</p>
Environmental and economic potential of decentralised electrocatalytic ammonia synthesis powered by solar energy
<p>Dataset associated with the publication "Environmental and economic potential of decentralised electrocatalytic ammonia synthesis powered by solar energy" by Sebastiano C. D'Angelo, Antonio J. Martín, Selene Cobo, Diego Freire-Ordóñez, Gonzalo Guillén-Gosálbez, and Javier Pérez-Ramírez, available at <a href="https://doi.org/10.1039/D2EE02683J">https://doi.org/10.1039/D2EE02683J</a>. The dataset includes the numeric data required to plot all the figures embedded in the main manuscript and in the Electronic Supplementary Information (ESI).</p> <p>The structure of the dataset is here elucidated sheet by sheet:</p> <ul> <li><strong>GeneralParameters</strong>: numerical values for the scaled functional unit used in the study, the world population value adopted, and the three voltage efficiencies assumed in different parts of the study.</li> <li><strong>AL_BaseCase_SensECE</strong>: numerical values associated with the results for the ammonia leaf scenarios adopting a voltage efficiency of 63% (base case) and a Faradaic efficiency varying from 1% to 100%; highest, average, and lowest capacity factors for the solar power production were here used. The ammonia leaf configuration here assessed is the one including solar panels, electrolyzer, and fuel cell as key components. The results report all the ReCiPe 2016 (hierarchical approach) midpoints and endpoints and the values for the assessed planetary boundaries; the levelised cost of ammonia (LCOA) is reported, as well.</li> <li><strong>AL_EtaV75_SensECE</strong>: this sheet has the structure as the previous one, but includes the results for the ammonia leaf scenario using 75% voltage efficiency, instead of 63%. The remaining assumptions do not deviate from the base case.</li> <li><strong>AL_Eta100_SensECE</strong>: this sheet has the structure as the previous one, but includes the results for the ammonia leaf scenario using 100% voltage efficiency, instead of 63%. The remaining assumptions do not deviate from the base case.</li> <li><strong>AL_NoFC_H2Vented_SensECE</strong>: this sheet has the same structure as the sheet "AL_BaseCase_SensECE", but includes the ammonia leaf scenario using a configuration with no fuel cell. The hydrogen by-product was here considered vented to the air. The remaining assumptions do not deviate from the base case.</li> <li><strong>AL_NoFC_H2Subst_SensECE</strong>: this sheet has the same structure as the sheet "AL_BaseCase_SensECE", but includes the ammonia leaf scenario using a configuration with no fuel cell. The hydrogen by-product was here considered substituting the production of an equivalent quantity from a water electrolyzer deployed in the same location as the ammonia leaf. The remaining assumptions do not deviate from the base case.</li> <li><strong>AL_BaseCase_SpatAnal_BreakFEff</strong>: numerical results for the ammonia leaf base case scenario stemming from the spatial analysis performed on a global grid of 1140 points. The yearly average capacity factors for the solar panels at each location are included, and the results portraying the breakeven Faradaic efficiency for the indicators climate change - CO<sub>2</sub> concentration, global warming, human health, and levelised cost of ammonia were included. The assumptions for the voltage efficiency and the other parameters correspond to the base case.</li> <li><strong>AL_BaseCase_SpatAnal_AbsValues</strong>: numerical results for the ammonia leaf scenarios using the base case state-of-the-art (34%) and 100% Faradaic efficiency, as well as the base case voltage efficiency of 63%. The same metrics as the previous sheet are reported. The structure of the sheet is the same as the previous one.</li> <li><strong>AL_BaseCase_Breakdowns</strong>: breakdown of the same four indicators as the previous sheet for the best and worst combination of Faradaic efficiency and solar panels capacity factors, i.e., 34% Faradaic efficiency and 6% capacity factor on one side and 100% Faradaic efficiency and 26% capacity factor on the other side. The breakdown is divided into solar panels, electrolyser, fuel cell, and other elements. A further breakdown of the levelised cost of ammonia (LCOA) into capital expenditure (CAPEX) and operating expenditure (OPEX) is provided, as well. The voltage efficiency is the same as the base case, as well as the other parameters.</li> <li><strong>AL_BaseCase_CAPEXSens</strong>: numerical results for the levelised cost of ammonia (LCOA) in dependence of the sensitivity on the capital expenditure (CAPEX) for the ammonia leaf configuration assessed in the base case. Two cases assuming state-of-the-art (34%) and 100% Faradaic efficiency were assumed, and lowest, average, and highest capacity factor are included. The remaining parameters do not deviate from the base case configuration.</li> <li><strong>AL_gHB_BestMap</strong>: numerical results to produce the map showing the best technology between ammonia leaf (AL) and green Haber-Bosch (gHB) in the category climate change - CO<sub>2</sub> concentration for all the assessed locations. column D shows the share of safe operating space (%SOS) for each location, while column E shows which technology was selected, where 1 is ammonia leaf and 2 is green HB.</li> <li><strong>AL_BaseCase_Sensitivity</strong>: percentual variation of the results obtained assuming the base configuration ammonia leaf for a state-of-the-art Faradaic efficiency and an average capacity factor for the solar panels. The varied parameters include the voltage efficiency (columns C-D-E), the levelised cost of electricity (columns G-H-I), the electrolyser cost (columns K-L-M), the fuel cell cost (columns O-P-Q), the electrolyser environmental impact (columns S-T-U), and the fuel cell environmental impact (columns W-X-Y).</li> <li><strong>CompTech_BaseCase</strong>: environmental and economic metrics characterizing the assessed Haber-Bosch scenarios (business as usual, BAU; blue Haber-Bosch; green Haber-Bosch for lowest, average, and highest solar panels capacity factor; BAU assuming natural gas spot prices in Europe in August 2022). The reported metrics are the ReCiPe 2016 (hierarchical approach) midpoints and endpoints, the planetary boundaries, and the levelised cost of ammonia (LCOA).</li> <li><strong>CompTech_EtaV75</strong>: this sheet has the same structure as the previous one, but the hydrogen electrolyser used for the green Haber-Bosch scenarios was assumed to have a 10% stack efficiency improvement. The remaining parameters are the same.</li> <li><strong>CompTech_EtaV100</strong>: this sheet has the same structure as the previous one, but the hydrogen electrolyser used for the green Haber-Bosch scenarios was assumed to have a 100% stack efficiency. The remaining parameters are the same.</li> <li><strong>CompValues_Fig1</strong>: numerical values for yearly global warming impacts of a selection of countries, as well as for the yearly human health impacts of selected diseases and catastrophic events.</li> </ul> <p> </p>
Optimized structures of the stationary points on the potential energy surface of the OH(2Π) + C2H4 reaction
<p>This Zip file contains the cartesian coordinates of optimized stationary points of the OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> potential energy surface published in our article “OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> Reaction: A Combined Crossed Molecular Beam and Theoretical Study” (P<em>hys. Chem. A</em> 2023, 127, 21, 4609–4623), that can be found in <a href="https://doi.org/10.1021/acs.jpca.2c08662">https://doi.org/10.1021/acs.jpca.2c08662</a>.</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Optimized structures of the stationary points on the potential energy surface of the O(3P, 1D) + HCCCN(X1Σ+) reaction
<p>This Zip file contains the cartesian coordinates of optimized stationary points of the O(<sup>3</sup>P, <sup>1</sup>D) + HCCCN(X<sup>1</sup>Σ<sup>+</sup>) potential energy surface published in our article “Reactions O(<sup>3</sup>P, <sup>1</sup>D) + HCCCN(X<sup>1</sup>Σ<sup>+</sup>) (Cyanoacetylene): Crossed-Beam and Theoretical Studies and Implications for the Chemistry of Extraterrestrial Environments” (<em>J. Phys. Chem. A</em> 2023, 127, 3, 685–703), that can be found in <a href="https://doi.org/10.1021/acs.jpca.2c07708">https://doi.org/10.1021/acs.jpca.2c07708</a>.</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Adsorption free energies and potentials of mean-force for interactions between amino acids, lipid fragments, and nanoparticles
<p>This dataset contains tabulated potentials of mean force (PMFs) and associated adsorption (binding) free energies for interactions of amino acids side chain analogues and lipid fragments (LF) with a range of materials: titanium dioxide, iron oxide, amorphous silica, quartz, and a range of carbon-based materials including amorphous carbon, graphene and carbon nanotubes both in a pristine form and functionalized by certain chemical groups. All data were computed from atomistic molecular dynamics simulations as a part of the SmartNanoTox project 2016-2020. Version 2 of the dataset includes additional materials: zink oxide, zink sulfate in pristine and PMMA-coated forms computed within NanoSolveIt project (2019-2023). The data are intended to be used in coarse-grained models describing interactions of nanomaterials with nanoparticles, for the prediction of the binding affinity of proteins and lipids to nanoparticles, and as biological "fingerprints" of nanomaterials characterizing behavior of the nanomaterials in biological environments. </p>
Optimized structures of the stationary points on the potential energy surface of the dissociation of the CH3OH˙+ cation
<p>This Zip file contains the optimized stationary points structures of the potential energy surface (PES) for the dissociation of the CH3OH˙+ cation.</p> <p>The PES has been published in our paper “Fragmentation of interstellar methanol by collisions with He˙<sup>+</sup>: an experimental and computational study” (<em><strong>Phys. Chem. Chem. Phys.</strong></em>, 2022, <strong>24</strong>, 22437-22452), that can be found in https://doi.org/10.1039/D2CP02458F .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01 and the structures were optimized at ωB97X-D/aug-cc-pVTZ level of theory.</p>
Energy Harvesting Using a Nonlinear Resonator with Asymmetric Potential Wells
<p><strong><span>This repository contains</span></strong><span> the results of numerical simulations of a nonlinear bistable system for harvesting energy from ambient vibrating mechanical sources. Detailed model tests were carried out on an inertial energy harvesting system consisting of a piezoelectric beam with additional springs attached. The mathematical model was derived using the bond graph approach. Depending on the spring selection, the shape of the bistable potential wells was modified including the removal of wells’ degeneration. Consequently, the broken mirror symmetry between the potential wells led to additional solutions with corresponding voltage responses. The probability of occurrence for different high voltage/large orbit solutions with changes in potential symmetry was investigated. In particular, the periodicity of different solutions with respect to the harmonic excitation period were studied and compared in terms of the voltage output. The results showed that a large orbit period-6 subharmonic solution could be stabilized while some higher subharmonic solutions disappeared with the increasing asymmetry of potential wells. Changes in frequency ranges were also observed for chaotic solutions.</span></p>
Double-Versus Triple-Potential Well Energy Harvesters: Dynamics and Power Output
<div>The present datasets and figures focus on the analysis of BEH and TEH systems where the corresponding depth of the potential well and the width of their characteristics are the same. The efficiency of energy harvesting for TEH and BEH systems assuming similar potential parameters is provided. The basic types of multistable energy harvesters are bistable energy harvesting systems (BEH) and tristable energy harvesting systems (TEH). Providing such parameters allows for reliable formulation of conclusions about the efficiency in both types of systems. These energy harvesting systems are based on permanent magnets and a cantilever beam designed to obtain energy from vibrations. Starting from the bond graphs, we derived the nonlinear equations of motion. Then we followed the bifurcations along the increasing frequency for both configurations. To identify the character of particular solutions, we estimated their corresponding phase portraits, Poincare sections, and Lyapunov exponents. The selected solutions are associated with their voltage output. The results in this numerical study show clearly that the bistable potential is more efficient for energy harvesting provided the corresponding excitation amplitude is large enough. However, the tristable one could work better in the limits of low-level and low-frequency excitations. </div> <div> <h2>Series information</h2> <p>Potential characteristics of energy harvesting systems caused by magnetic field of distributed permanent magnets:</p> <ul> <li>Fig4a_b_V_y1.txt</li> <li>Fig4a_r_V_y1.txt</li> </ul> <p>Potential characteristics of energy harvesting systems caused by magnetic field effect as in the previous case and an additional change in the stiffness of the flexible cantilever beam:</p> <ul> <li>Fig4b_b_V_y1.txt</li> <li>Fig4b_r_V_y1.txt</li> </ul> <p>Series of steady states of the system against frequency for two potential wells. </p> <ul> <li>Fig6a_p005.txt</li> <li>Fig6c_p025.txt</li> <li>Fig6e_p05.txt</li> <li>Fig6g_p085.txt</li> </ul> <p>Series of steady states of the system against frequency for three potential wells</p> <ul> <li>Fig6b_p005.txt</li> <li>Fig6d_p025.txt</li> <li>Fig6f_p05.txt</li> <li>Fig6h_p085.txt</li> </ul> <p>The excitation amplitude increases downwards from 0.05 to 0.85 and its values are listed in the corresponding description. The results were obtained for zero initial conditions. ω and x are dimensionless.</p> </div> <div><strong>Figures:</strong></div> <div> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%202.jpg/content" target="_blank" rel="noopener"><br>ig 2.jpg</a> - A graph of bonds representing the dynamics of the tested design solutions of energy harvesting systems.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%203.jpg/content" target="_blank" rel="noopener">Fig 3.jpg</a> - A Lagrangian bond graph, with causality conflicts intentionally introduced.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%204.jpg/content" target="_blank" rel="noopener">Fig 4.jpg</a> - Potential characteristics of energy harvesting systems caused by: (<strong>a</strong>) magnetic field of distributed permanent magnets (Fig. 1); (<strong>b</strong>) magnetic field effect as in previous case and an additional change in stiffness of the flexible cantilever beam (to satisfy equal potential barriers <em>V</em><sub>2</sub> = <em>V</em><sub>3</sub> ) used in further calculations.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%206.jpg/content" target="_blank" rel="noopener">Fig 6.jpg</a> - Bifurcation diagrams (stroboscopic) of steady states of the system against frequency for: (<strong>a</strong>) Two potential wells; (<strong>b</strong>) three potential wells. The excitation amplitude increases downwards from 0.05 to 0.85 and its values are listed in the corresponding sub-figures. The results were obtained for zero initial conditions. <em>ω</em> and <em>x</em> are dimensionless.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%207.jpg/content" target="_blank" rel="noopener">Fig 7.jpg</a> - Exemplary solutions showing the geometrical structures of chaotic phase flows and the corresponding Poincaré cross-sections of a BEH. <em>Dc</em> denotes the corresponding correlation dimension. <em>ω</em>, <em>p</em>, <em>x, </em>and x' are dimensionless.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%208.jpg/content" target="_blank" rel="noopener">Fig 8.jpg</a> - Examples of periodic responses of a BEH system identified for dimensionless mechanical vibration amplitudes: (<strong>a</strong>) <em>p</em> = 0.05; (<strong>b</strong>) <em>p</em> = 0.25; (<strong>c</strong>) <em>p</em> = 0.5; (<strong>d</strong>) <em>p</em> = 0.85. <em>ω</em>, <em>p</em>, <em>x, </em>and<em> x'</em> are dimensionless.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%209.jpg/content" target="_blank" rel="noopener">Fig 9.jpg</a> - Example solutions showing geometric structures of chaotic phase flows and corresponding Poincaré cross-sections, which were identified for a system with three potential wells (TEH). <em>Dc</em> denotes the corresponding correlation dimension. <em>ω</em>, <em>p</em>, <em>x, </em>and<em> x'</em> are dimensionless.</p> <p>Fig 10.jpg – Influence of external load characteristics on periodic induced solutions in a TEH. Trajectory shapes are plotted for selected frequencies ω. <em>ω</em>, <em>p</em>, <em>x, </em>and<em> x'</em> are dimensionless.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%2011.jpg/content" target="_blank" rel="noopener">Fig 11.jpg</a> - Multicolored maps of the values of effective energy harvesting systems (RMS voltage outputs) with the potential: (<strong>a</strong>) two-well (BEH); (<strong>b</strong>) three-well (TEH) for zero initial conditions. <em>ω</em> and <em>p</em> are dimensionless, while <em>U<sub>RMS</sub></em> is expressed in Volts.</p> <p><a href="https://zenodo.org/api/records/14176152/draft/files/Fig%2012.jpg/content" target="_blank" rel="noopener">Fig 12.jpg</a> - Comparison of RMS<strong> </strong>voltage outputs for two and three wells potential systems versus amplitude and frequency. ω is dimensionless while <em>U<sub>RMS</sub></em> is expressed in Volts.</p> </div>
Result data related to "Cost-potential curves of onshore wind energy: the role of disamenity costs"
<p>This dataset estimates the impact of incorporating disamenity costs of wind onshore in Europe (in addition to technology cost). The data haset has been generated and used for the publication:</p> <blockquote> <p>Ruhnau, O., Eicke, A., Sgarlato, R., Tröndle, T., Hirth, L., 2022. Cost-potential curves of onshore wind energy: the role of disamenity costs. Environmental and Resource Economics. DOI: <a href="https://doi.org/10.1007/s10640-022-00746-2">10.1007/s10640-022-00746-2</a></p> </blockquote> <p>The corresponding code is published on <a href="https://github.com/timtroendle/wind-onshore-cost-potential">GitHub</a>.</p> <p>The dataset includes:</p> <ol> <li>Maps that exhibit the population count within a predefined distance (e.g., "population-within-1km.tif") and the resulting disamenity costs ("disamenity-cost.tif")</li> <li>Tables that summarize the engineering and disamenity costs faced at each potential turbine location in the EU (e.g., "turbines-AT.csv")</li> </ol>
Optimized stationary points on the potential energy surface of the reaction of atomic oxygen O(3P) with acrylonitrile
<p>This Zip file contains the cartesian coordinates of optimized stationary points of the O(<sup>3</sup>P) + acrylonitrile potential energy surface (PES).</p> <p>The PES has been published in our article “A Computational Analysis of the Reaction of Atomic Oxygen O(<sup>3</sup>P) with Acrylonitrile”</p> <p>(<em>Lecture Notes in Computer Science</em> <strong>2021</strong>, 12958, 339-350), that can be found in https://doi.org/10.1007/978-3-030-87016-4_25 .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Optimized stationary points on the potential energy surfaces of the N(2D) + CH2CHCN and CN + CH2CHCN reactions
<p>This Zip file contains the cartesian coordinates of optimized stationary points on the potential energy surfaces (PESs) of two reactions: N(<sup>2</sup>D) + CH<sub>2</sub>CHCN (acrylonitrile) and CN + CH<sub>2</sub>CHCN.</p> <p>The PES has been published in our article “A Theoretical Investigation of the Reactions of N(<sup>2</sup>D) and CN with Acrylonitrile and Implications for the Prebiotic Chemistry of Titan”</p> <p>(<em>Lecture Notes in Computer Science</em> <strong>2022</strong>, 13378, 246-259), that can be found in https://doi.org/10.1007/978-3-031-10562-3_18 .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Optimized stationary points on the potential energy surfaces of the N(2D)+ C2H4 and N(2D)+ CH2CHCN reactions
<p>This Zip file contains the cartesian coordinates of optimized stationary points on the potential energy surfaces (PESs) of two reactions: N(<sup>2</sup>D)+ C<sub>2</sub>H<sub>4</sub> and N(<sup>2</sup>D)+ CH<sub>2</sub>CHCN.</p> <p>The PESs have been published in our article “Computational Investigation of the N(<sup>2</sup>D)+ C<sub>2</sub>H<sub>4</sub> and N(<sup>2</sup>D)+ CH<sub>2</sub>CHCN Reactions: Benchmark Analysis and Implications for Titan’s Atmosphere”</p> <p>(<em>Lecture Notes in Computer Science</em> <strong>2023</strong>, 14105, 705-717), that can be found in https://doi.org/10.1007/978-3-031-37108-0_45 .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.</p>
Optimized stationary points on the potential energy surfaces of the S+(4S) + SiH2(1A1) and HSiS+/SiSH+ + NH3 reactions
<p>This Zip file contains the cartesian coordinates of optimized stationary points on the potential energy surfaces (PESs) of three reactions: S<sup>+</sup>(<sup>4</sup>S) + SiH<sub>2</sub>(<sup>1</sup>A<sub>1</sub>), <sup>3</sup>HSiS<sup>+</sup> + NH<sub>3</sub> and <sup>3</sup>SiSH<sup>+</sup> + NH<sub>3</sub>.</p> <p>These PESs are part of our paper “The S<sup>+</sup>(<sup>4</sup>S)+SiH<sub>2</sub>(<sup>1</sup>A<sub>1</sub>) Reaction: Toward the Synthesis of Interstellar SiS”</p> <p>(<em>Lecture Notes in Computer Science</em> <strong>2022</strong>, 13378, 233-245), that can be downloaded in https://doi.org/10.1007/978-3-031-10562-3_17 .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at B3LYP/aug-cc-pV(T+d)Z level of theory.</p>
Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction
<p>This Zip file contains the cartesian coordinates of optimized stationary points of the HC<sub>3</sub>N + CN potential energy surface published in our article “Semiempirical Potential in Kinetics Calculations on the HC<sub>3</sub>N + CN Reaction” (<em>Molecules</em> <strong>2022</strong>, <em>27(7)</em>, 2297), that can be found in <a href="https://doi.org/10.3390/molecules27072297">https://doi.org/10.3390/molecules27072297</a> .</p> <p>All calculations have been performed with Gaussian 09, Revision D.01.</p> <p>All structures have been optimized at M06-2X/6-311+G(d,p) level of theory.</p>
Tool for Renewable Energy Potentials - Database
<p>Database for scenarios of "Potentials of Renewable Energy Sources in Germany and the Influence of Land Use Datasets"</p> <p>The used datasets and applied methodology can be found in the paper <a href="https://doi.org/10.3390/en15155536">Potentials of Renewable Energy Sources in Germany and the Influence of Land Use Datasets</a><br> . Please cite the paper if you utilize the dataset. Applied datasets among others:</p> <ul> <li>Geobasisdaten: © GeoBasis-DE / BKG (2021), ‘Digitales Basis-Landschaftsmodell (Ebenen) (Basis-DLM)’. 2021. (Conditions of use: <a href="https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf">https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf</a>)</li> <li>Geobasisdaten: © GeoBasis-DE / BKG (2021), ‘Amtliche Hausumringe Deutschland (HU-DE)’. 2021. (Conditions of use: <a href="https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf">https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf</a>)</li> <li>Geobasisdaten: ©GeoBasis-DE / BKG (2021), 3D-Gebäudemodelle LoD2 Deutschland (LoD2-DE) (2021). (Conditions of use: <a href="https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf">https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf</a>)</li> <li>UNEP-WCMC, IUCN, ‘The world database on protected areas’. 2016. Accessed: Oct. 22, 2021. [Online]. Available: https://www.protectedplanet.net/</li> </ul> <p>Please be aware of the conditions of use for parts of the applied datasets (<a href="https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf">https://sg.geodatenzentrum.de/web_public/nutzungsbedingungen.pdf</a>) if you utilize the data.</p>
Potential energy surfaces and rovibrational line lists for beryllium dihydride
<p>Molpro restart files of the potential energy and property surfaces for water and beryllium dihydride and its deuterated isotopologue. Rovibrational line lists containing infrared and Raman intensities as reported in "Efficient and Automated Quantum Chemical Calculation of Rovibrational Nonresonant Raman Spectra" ( <a href="https://doi.org/10.1063/5.0087359">https://doi.org/10.1063/5.0087359 )</a></p>
Thermodynamic database and calculator of free energies and potentials for redox reactions involving iron minerals in aqueous media (IMTD)
<p>Database of free energies of formation for iron minerals and associated aqueous species, which are used in a tableu style spreadsheet to calculate free energies of redox reactions involving iron minerals, which in turn are used to calculate free energies and formal potentials for these reactions, under specified environmental conditions.</p> <p>The database and calculators were assembled by students and postdocs (Jeff Hudson, Ania Pavitt, Ying Lan, and Miranda Bradley) working under direction of Professor Paul G. Tratnyek at the Oregon Health & Science University, Portland, Oregon, USA. Drew Latta, Thomas Robinson, and Michelle Scherer contributed to the database and extended the calculations.</p> <p>Early versions of this tool were used in several publications, including (i) Fan, D., Y. Lan, P. G. Tratnyek, R. L. Johnson, J. Filip, D. M. O'Carroll, A. N. Garcia, and A. Agrawal. 2017. <em>Environ. Sci. Technol.</em> 51(22): 13070–13085. [DOI: 10.1021/acs.est.7b04177] and (ii) Bradley, M. J., and P. G. Tratnyek. 2019. <em>ACS Earth & Space Chemistry</em> 3(3): 688-699. [DOI: 10.1021/acsearthspacechem.8b00200].</p> <p>This tool is provided as a spreadsheet in .xlsx format. The file includes six sheets. The first contains background, constants, and calculations that apply throughout the remaining tabs. The second contains free energies of formation from various authoritative sources, and a mechanism for designating “recommend values”. The third contains a tableu that calculates free energies of redox reactions using the recommended free energy of formation and user-specified stoichiometries. The fourth calculates free energies and formal potentials of the redox reactions using the standard potentials, and specific solution conditions. The last tab summarizes previous published formal potentials from a variety of sources. </p> <p>While the database was checked thoroughly, it still is unlikely to be completely accurate. For critical applications, we recommend that you track-down the primary sources (listed on the first tab of the spreadsheet) and use them for data, conditions, and other caveats. Obviously, we do not accept any responsibility for what anyone does with information obtained from this document.</p> <p>In the future, if significantly corrections or additions are made to this document, we may publish it here as new versions. If the contributions of others result in major improvements, we are open to adding new authors to those versions. Feel free to contact us with corrections, suggests, or offers to help.</p> <p>The development of this version of the tool was funded through grants from the Strategic Environmental Research and Development Program (SERDP) and the U.S. Department of Energy.</p>
Energy Transition Strategy Based on Bioenergy Potential from Empty Fruit Bunches to Support Indonesia's New Capital in East Kalimantan
<p><strong><span>Data Source</span></strong></p> <p><span>The study of bioenergy potential of Eastern Kalimantan, INDONESIA </span></p> <p><strong><span> </span></strong></p> <p><strong><span>Journal Title</span></strong><span><span> </span>: <span> </span></span><span>Energy Transition Strategy Based on Bioenergy Potential from Empty Fruit Bunches to Support Indonesia's New Capital in East Kalimantan</span></p>
Figure 5 in Assessment of the Renewable Energy Potential in the Republic of Adygeya
Figure 5. Distribution of temperatures of geothermal water (°C) at a depth of 2000 m in the Republic of Adygeya (Butuzov et al. 2009).
Figure 4 in Assessment of the Renewable Energy Potential in the Republic of Adygeya
Figure 4. Estimation of the gross and technical potential of biomass energy in the Republic of Adygeya (a) – from (Guide… 2007) and (b) – According to the Laboratory of Renewable Energy of Lomonosov Moscow State University.
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