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121 results for “h2o”
RAIRS spectrum of a H2O:CS2 (400:60 ML) ice mixture at 6 K
<p>The title is self-explanatory. First column contains wavenumbers in cm-1. Second column contains absorbance. </p> <p>The spectrum was collected in the SPACE TIGER setup at the Center for Astrophysics | Harvard & Smithsonian. We assume that the spectrum is the same as in transmittance mode except for the absorbance, that is a factor 2.32 higher (note that this factor is setup-dependent and was measured for the SPACE TIGER setup in Martín-Doménech et al. 2020). </p> <p> </p>
Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region
<p>Air-broadened H2O measurements at 294 K, total pressure range 250-1000 mbar, and self-broadened measurements at 294 K, 10 and 20 mbar, and analysis were carried out within the ESA-funded project ISOGG (Improved Spectroscopy for satellite measurements Of Greenhouse Gases).</p> <p>The measurement database is in “H2O_self-_and_air-broadened_measurements_5970-6575cm-1.zip” and the line parameter database in “H2O_self-_and_air-broadening_line_parameters_5970-6575cm-1.zip”. The readme file is “Measurement database and line parameter database for air- and self-broadened H2O in the 5970-6575 cm-1 region - Readme.docx”.</p> <p>Definitions and units of line parameters are in accordance with the HITRAN database and can be found in the readme file in <a href="https://zenodo.org/records/1009126">ESA SEOM-IAS – Spectroscopic parameters database 2.3 µm region (zenodo.org)</a>.</p> <p><span>The systematic line position uncertainty is 1.7x10<sup>-5</sup> cm<sup>-1</sup>.</span></p>
H2O adsorptions onto YF3 (010), (100), and (011)
<p>This dataset contains AMS-BAND electronic structures and pEDA+NOCV data (PBE+D3(BJ) / TZ2P / ZORA / small frozen cores on all but Cl) of H2O adsorptions onto a (2×3×2) unit cell large YF3 supercell (= Y48F144) of (010) or (100) orientation or a (2x2x4) unit cell large YF3 supercell (= Y64F192) of (011) orientation. Each structure is it's own .tar named according to surface + (number of) adsorbate molecule + structural isomer letter + structure number. Each structure contains the input file (.run), output file (.out) and the ams.results folder containing the log file (ams.log) and the binary AMS-BAND results files (ams.rkf, band.rkf).</p> <p>The generation and relaxation of the atomic structures is described in: https://doi.org/10.3390/cryst13040555</p>
An updated cloud-overlap photolysis module for atmospheric chemistry models, UCI Cloud-J v8.0, with near-UV H2O absorption
Open the record for dataset details and reuse information.
Partial molar volumes of H2O and CO2 in pyrolite melt
<p>Partial molar volumes of CO<sub>2</sub> and H<sub>2</sub>O in pyrolite melt as a function of pressure at 2000 K, 3000 K, 4000 K and 5000 K. Each file is a text file where the first column is the pressure (units: GPa) and the second column is the partial molar volume of the volatile (units: cm<sup>3</sup>/mol). The partial molar volumes of the volatiles were determined from subtracting the equations of state of volatile-bearing pyrolite melt from the equation of state of volatile-free pyrolite melt.</p>
Volumetric properties of dilute (d-glucose + H2O) solutions at temperatures from (293.15 to 433.15) K and pressures from (0.10 to 50.00) MPa
<p>The densities of aqueous solutions of D-glucose were measure at temperatures from (293.15 to 433.15) K and pressures from (0.10 to 50.00) MPa using a vibrating-tube densimeter. Apparent molar volumes <i>V</i><sub>φ,m</sub> and partial molar volumes at infinite dilution <i>V</i><sup>∞</sup> were calculated from the experimental results. <i>V</i><sup>∞</sup> increases as temperature increases and varies linearly with temperature above ~300 K. In addition, <i>V</i><sup>∞ </sup>does not vary as a function of pressure up to 50.0 MPa. Comparison of these results with previous studies indicate excellent agreement and significantly extend the experimental database for aqueous solutions of D-glucose to elevated temperatures and pressures. </p>
Supplementary Table 1-9 of the manuscript: Magmatic Cl-H2O contents, fluid extraction and porphyry fertility: Evidence from zircon and its apatite inclusions
<p><strong><span>Table DR1</span></strong><span> Major element composition of biotite from the three intrusions in the ZOF</span></p> <p><strong><span>Table DR2</span></strong><span> Laser Raman spectra and trace element compositions of zircon grains from the Cretaceous intrusions in the ZOF</span></p> <p><strong><span>Table DR3</span></strong><span> Major element composition of plagioclase grains from the Cretaceous intrusions in the ZOF</span></p> <p><strong><span>Table DR4</span></strong><span> Sr isotopic composition of the plagioclase from the Cretaceous intrusions in the ZOF</span></p> <p><strong><span>Table DR5</span></strong><span> Zircon Lu-Hf isotopic composition of the Sifang granodiorite, Luoboling granodiorite porphyry and Zhongliao granodiorite</span></p> <p><strong><span>Table DR6 </span></strong><span>Zircon water contents and O isotopic compositions by SIMS of the Cretaceous intrusions in the ZOF</span></p> <p><strong><span>Table DR7 </span></strong><span>Major and volatile element composition of the zircon-host apatite from the Cretaceous intrusions in the ZOF </span></p> <p><strong><span>Table DR8</span></strong><span> The top 20 best fitting runs</span></p> <p><strong><span>Table DR9</span></strong><span> Summarization of the salinity calculations</span></p>
Dataset for: Pressure-driven symmetry transitions in dense H2O ice
<p>This dataset comprises of all of the XRD patterns for ice and gold used for the equation of state in "Pressure-driven symmetry transitions in dense H<sub>2</sub>O ice." Also included is a key for correlating ice and gold as well as the calibration files and CeO<sub>2</sub> diffraction patterns for obtaining the calibration</p>
Determination of Raman spectra of water H2O and heavy water D2O using Thorlabs modular Raman kit
Open the record for dataset details and reuse information.
OH mid-infrared emission as a diagnostic of H2O UV photodissociation. III. Application to planet-forming disks
<p>This repository contains the grid of MIRI-MRS synthetic spectra presented in Tabone, van Dishoeck, and Black 2024. In this work, we include in the DALI disk model prompt emission of OH following photodissociation of H2O in its B electronic state by photons at λ < 144 nm. The propensity of forming OH in the A’ symmetric states is taken into account. H2O and OH emission is calculated from 9 to 18 micron and convolved at a spectral resolution of R=2500 to be readily compared with JWST data.</p> <p>The python script plot_model.py can be used to plot a model.</p>
Line parameter database H2O self-broadened 700-2000 cm-1
<p><strong>DLR line parameter database for self-broadened H<sub>2</sub>O in the 700 – 2000 cm<sup>-1</sup> region.</strong></p> <p>New self-broadened H<sub>2</sub>O measurements and analysis were performed with the aim of determining the H<sub>2</sub>O self-continuum. Zenodo serves as a repository for the line parameter database.</p> <p>Measurements in the spectral range of 700 – 2000 cm⁻¹ were conducted using a Bruker 125HR Interferometer with an attached multi-reflection cell. The spectral resolution was 0.003 cm⁻¹. Measurements were corrected regarding the wavenumber axis (→ N<sub>2</sub>O reference lines [1]), detector non-linearity, thermal self-radiation, and the instrumental line profile function (→ LINEFIT [2]). For the preparation of the parameter database, measurements were analyzed using pure H₂O pressures between 0.003 – 20 mbar, path lengths between 14 – 161 m, and temperatures of 294.2 K and 353.2 K. The line profile function of a quadratic speed-dependent Voigt which was extended for Rosenkranz line mixing was used. The following line parameters were determined for the four most abundant H₂O isotopologues H<sub>2</sub><sup>16</sup>O (main isotopologue), H<sub>2</sub><sup>18</sup>O, H<sub>2</sub><sup>17</sup>O, HD<sup>16</sup>O:</p> <table> <tbody> <tr> <td>Line position</td> <td><sub>ν0</sub></td> </tr> <tr> <td>Line intensity</td> <td>S</td> </tr> <tr> <td>Pressure self-broadening parameter</td> <td><sub>γ0,self</sub></td> </tr> <tr> <td>Speed-dependence parameter of pressure self-broadening</td> <td><sub>γ2,self</sub></td> </tr> <tr> <td>Temperature exponent of pressure self-broadening</td> <td>n<sub>self</sub></td> </tr> <tr> <td>Pressure self-shift parameter</td> <td><sub>δ0,self</sub></td> </tr> <tr> <td>Temperature dependence of pressure self-shift</td> <td><sub>δ<strong><sup>T</sup></strong>0,self</sub></td> </tr> <tr> <td>First order Rosenkranz self-line-mixing parameter @ 296 K</td> <td>Y<sub>self</sub></td> </tr> <tr> <td>Temperature dependence of first order Rosenkranz self-line-mixing</td> <td>Y<sup>T1</sup><sub>self</sub></td> </tr> </tbody> </table> <p> </p> <p> </p> <p><strong>Provided files:</strong></p> <p> </p> <p>Readme for database and provided files:</p> <p><strong>DLR_Database_Pure_H2O_700-2000_cm-1- Readme.docx</strong></p> <p>Detailed, commented version:</p> <p><strong>DLR_Database_Pure_H2O_700-2000_cm-1.xlsx</strong></p> <p>Version in extended HITRAN format:</p> <p><strong>DLR_Database_Pure_H2O_700-2000_cm-1.hit</strong></p> <p>List of occurring HITRAN references:</p> <p><strong>DLR_Database_Pure_H2O_700-2000_cm-1_HITRAN_references.html</strong></p>
Correlated-k table for H2O+N2 atmospheres
<p>Correlated-k table for H<sub>2</sub>O+N<sub>2</sub> atmospheres.</p> <p>According to the MT_CKD formalism, the water vapor absorption lines are truncated at 25cm<sup>-1</sup> and the plinth is removed. Absorption lines take into account all mutual interactions between water and nitrogen, including foreign broadening. We used water lines from the HITRAN database.</p> <p>Temperature grid (Kelvin): [50, 110, 170, 230, 290, 350, 410, 470, 530, 590, 650, 710, 5000]</p> <p>Pressure grid (Pascal): [10<sup>-1</sup>, 1, 10, 10<sup>2</sup>, 10<sup>3</sup>, 10<sup>4</sup>, 10<sup>5</sup>, 10<sup>6</sup>, 10<sup>7</sup>]</p> <p>Water mass mixing ratio grid: [10<sup>-6</sup>, 10<sup>-5</sup>, 10<sup>-4</sup>, 10<sup>-3</sup>, 10<sup>-2</sup>, 10<sup>-1</sup>, 1]</p> <p>Spectral range (cm<sup>-1</sup>): [0.1, 30000]</p> <p>Spectral resolution R=300</p> <p> </p>
The Influence of H2O Pressure Broadening in High Metallicity Exoplanet Atmospheres: Absorption Cross-section dataset
<p>In this study, the pressure-broadened H<sub>2</sub>O absorption cross-sections (ACS) data are computed for two set of broadeners: 1) 85%H<sub>2</sub> and 15% He, and 2) 100% H<sub>2</sub>O (or 100% self-broadening) for 288 pressure-temperature grid points. Therefore, this dataset includes 576 files, and each file named based on its temperature, pressure, and broadener (H2HE or SELF).</p>
Spectral data associated to the publication: "Reflectance study of ice and Mars soil simulant associations—II. CO2 and H2O ice" by Z. Yoldi et al. (Icarus 386, 2022)
<p>This is the complete set of experimental VIS-NIR reflectance data collected by Z. Yoldi and co-authors for the article "Reflectance study of ice and Mars soil simulant associations—II. CO2 and H2O ice" published in Icarus 386 (2022). doi: https://doi.org/10.1016/j.icarus.2022.115116.</p> <p>A pre-print of the article is also freely available on ArXiv:</p> <p>https://arxiv.org/abs/2207.13905</p> <p>The article provides the methodology for the spectral aquisitions, discussion of the errors and uncertainties, analysis of the spectra and implications for the composition of Solar System surfaces.</p> <p>The spectral data are organised in folders corresponding to the different types of experiments detailed in the article. In case both hyperspectral and multispectral data were acquired, they are organised in subfolders.</p> <p>The spectral files inside these folders and subfolders have the following naming convention:</p> <p>spectrum_YYYYMMDD_experiment_name_TYPE_XX_YYY.csv</p> <p>Where TYPE is either multi (multispectral) or hyper (hyperspectral), XX indicates different samples within the experiment (see paper, figures and tables) and YYY is a sequential number in case of a temporal evolution (sublimation experiment in "20180207_ternary_mixture" with 12 timesteps).</p> <p> The files are in csv format (columns separated by comma) and the content of each column is indicated in the first line (header).</p>
Supplementary materials to: "SilicH2O: a graphical user interface for processing silicate glass Raman spectra and quantifying H2O"
<p>The dataset contains:</p> <ul> <li>supplementary text and figures as a single pdf</li> <li>Raman and compositional data in two separate excel files</li> </ul> <p> </p>
Climate model results for H2-H2O atmospheres
<p>This dataset is a realization of a greenhouse climate model for H2-H2O atmospheres</p>
Change in H2O levels of a milliQ ice sample as a result of laser ablation (100kHz, 50uJ)
<p>This data includes the measured change in water vapour level corresponding to three different laser ablation durations applied to milliQ ice sample. Pulse energy of the laser is 50 uJ and repetition rate is 100kHz. </p> <table> <tbody> <tr> <td>Datetime</td> <td>Laser Ablation Duration (s)</td> </tr> <tr> <td>2019-12-09 11:28</td> <td>20</td> </tr> <tr> <td>2019-12-09 11:33</td> <td>40</td> </tr> <tr> <td>2019-12-09 11:40</td> <td>60</td> </tr> </tbody> </table> <p> </p>
Change in H2O levels of a milliQ ice sample as a result of laser ablation (50kHz, up to 43uJ)
<p>The change in measured water vapour corresponding to 19 and 30 laser ablated craters in a milliQ ice sample. Relevant time period is 2021-05-13 from 16:07 to 16:52.<br> <br> File LA_data_2021-05-13 10.29.58.456138++0200.csv includes data of the laser used for ablation as well as position and speed data of the linear stage that holds the ice sample. <br> <br> File HIDS2159-20210513-150816Z-DataLog_User.dat includes H2O data.</p>
Quantum mechanical modeling of the on-grain formation of acetaldehyde on H2O:CO dirty ice surfaces
<p>This Supporting Material contains:</p> <ul> <li>Cartesian coordinates of HF-3c optimized minima and transition state for the reaction in gas phase, in .xyz format, computed using <a href="https://gaussian.com/">Gaussian16</a> code;</li> <li>Fractional coordinates of HF-3c optimized minima and trasition state structures for crystalline periodic models in <a href="https://www.moldraw.unito.it/_sgg/m1m1s43_1.htm">.mol</a> format, editable with <a href="http://www.moldraw.unito.it/">MOLDRAW</a>, computed using <a href="http://www.crystal.unito.it/">CRYSTAL17</a> computer code.</li> </ul>
A computational insight on the aromatic amino acids conjugation with [Cp*Rh(H2O)3]2+ by using the MTD/FMO3 approach.
<p>The zip file contains the 3D coordinates of the optimized structures, obtained by sampling each 1 ps of the EC1, EC2 and EC3 trajectories (MTD and MD calculations) and used as input geometries for FMO3 calculations.</p>
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