Pub Date : 2024-09-05DOI: 10.1007/s10967-024-09677-2
Boris A. Voronin, Jonathan Tennyson, Tatyana Yu. Chesnokova, Aleksei V. Chentsov, Aleksandr D. Bykov
The absorption spectrum of H219O, a radioactive isotopologue of the water molecule, is predicted using variational nuclear motion calculated based on a high precision potential energy function and ab initio dipole moment surface. Vibrational - rotational energy levels and wave functions, line centers and Einstein coefficients for dipole transitions are calculated. Predicted transition wavenumbers are improved by extrapolating known empirical energy levels of the stable H216O, H217O and H218O isotopologues to H219O. A line list for possible atmospheric application is presented which includes air line broadening coefficients. The calculations span a wide spectral range covering infrared and visible wavelengths, and are appropriate for temperatures up to 1000 K. Windows suitable for observing absorption by H219O are identified and comparisons made with the infrared spectra of water vapor in natural abundance, H215O and H214O.
利用基于高精度势能函数和 ab initio 偶极矩表面计算的变异核运动预测了水分子的放射性同位素 H219O 的吸收光谱。计算了偶极转换的振动-旋转能级和波函数、线中心和爱因斯坦系数。通过将稳定的 H216O、H217O 和 H218O 同素异形体的已知经验能级外推至 H219O,改进了预测的转换波数。还提供了一份可能应用于大气的谱线表,其中包括空气谱线展宽系数。计算结果的光谱范围很广,涵盖了红外线和可见光波长,适用于高达 1000 K 的温度。
{"title":"The spectrum of radioactive water vapor: the H219O radio-isotopologue","authors":"Boris A. Voronin, Jonathan Tennyson, Tatyana Yu. Chesnokova, Aleksei V. Chentsov, Aleksandr D. Bykov","doi":"10.1007/s10967-024-09677-2","DOIUrl":"10.1007/s10967-024-09677-2","url":null,"abstract":"<div><p>The absorption spectrum of H<sub>2</sub><sup>19</sup>O, a radioactive isotopologue of the water molecule, is predicted using variational nuclear motion calculated based on a high precision potential energy function and ab initio dipole moment surface. Vibrational - rotational energy levels and wave functions, line centers and Einstein coefficients for dipole transitions are calculated. Predicted transition wavenumbers are improved by extrapolating known empirical energy levels of the stable H<sub>2</sub><sup>16</sup>O, H<sub>2</sub><sup>17</sup>O and H<sub>2</sub><sup>18</sup>O isotopologues to H<sub>2</sub><sup>19</sup>O. A line list for possible atmospheric application is presented which includes air line broadening coefficients. The calculations span a wide spectral range covering infrared and visible wavelengths, and are appropriate for temperatures up to 1000 K. Windows suitable for observing absorption by H<sub>2</sub><sup>19</sup>O are identified and comparisons made with the infrared spectra of water vapor in natural abundance, H<sub>2</sub><sup>15</sup>O and H<sub>2</sub><sup>14</sup>O.</p></div>","PeriodicalId":661,"journal":{"name":"Journal of Radioanalytical and Nuclear Chemistry","volume":"333 10","pages":"4945 - 4954"},"PeriodicalIF":1.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10967-024-09677-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-05DOI: 10.1007/s10967-024-09730-0
Xilei Duan, Xueyang Liu, Zhenghua Qian, Qiang Zhang, Menghan Jiang, Lin Li, Kui Zhang, Yanbo Qiao
Na induces the formation of acicular RuO2 in the glass melt, and the effect of Cs on the precipitation of RuO2 is not clear. In this study, sodium ruthenate (NaRu) and cesium ruthenate (CsRu) were prepared by quenching experiments, and RuO2-containing waste glass was prepared by calcination of glass surfaces. The results showed that both CsRu and NaRu induced the formation of RuO2 in the glass melts, with rod-like and acicular morphology, respectively. It can be inferred that alkali metals play an important role in the formation of RuO2 with different shapes.
{"title":"Revealing the growth mechanism of ruthenium oxide in glass melt: the effects of alkali metals on crystal growth","authors":"Xilei Duan, Xueyang Liu, Zhenghua Qian, Qiang Zhang, Menghan Jiang, Lin Li, Kui Zhang, Yanbo Qiao","doi":"10.1007/s10967-024-09730-0","DOIUrl":"https://doi.org/10.1007/s10967-024-09730-0","url":null,"abstract":"<p>Na induces the formation of acicular RuO<sub>2</sub> in the glass melt, and the effect of Cs on the precipitation of RuO<sub>2</sub> is not clear. In this study, sodium ruthenate (NaRu) and cesium ruthenate (CsRu) were prepared by quenching experiments, and RuO<sub>2</sub>-containing waste glass was prepared by calcination of glass surfaces. The results showed that both CsRu and NaRu induced the formation of RuO<sub>2</sub> in the glass melts, with rod-like and acicular morphology, respectively. It can be inferred that alkali metals play an important role in the formation of RuO<sub>2</sub> with different shapes.</p>","PeriodicalId":661,"journal":{"name":"Journal of Radioanalytical and Nuclear Chemistry","volume":"4 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-31DOI: 10.1007/s10967-024-09724-y
Bekir Özkan, Yüksel Altaş, Süleyman İnan
The present study focuses on investigating the conditions for acid leaching of Th and REEs and sequential oxalate precipitation to remove impurities from leach liquor. The effects of preheat treatment, leaching time, liquid/solid ratio, and acid concentration on Th, Sm, Pr, Nd, Ce, La, and U leaching yields were investigated. The best results were obtained at 400 °C preheated sample using 1 mol/L H2SO4, liquid/solid ratio of 1 mL/g, 60 min leaching time, and 30 °C leaching temperature. The leaching yields of Th, Sm, Pr, Nd, Ce, La, and U were found to be 41.7, 65.0, 68.2, 66.9, 84.3, 82.6, and 55.0% respectively. Th and REE liquors were treated with 0.5–1.5 mol/L H2C2O4 solutions in the precipitation step. Purity was enhanced through three sequential precipitation cycles, resulting in a purity grade of 98.59%.
{"title":"Extraction and purification of thorium and rare earth elements from bastnaesite mineral: a comprehensive leaching and precipitation study","authors":"Bekir Özkan, Yüksel Altaş, Süleyman İnan","doi":"10.1007/s10967-024-09724-y","DOIUrl":"https://doi.org/10.1007/s10967-024-09724-y","url":null,"abstract":"<p>The present study focuses on investigating the conditions for acid leaching of Th and REEs and sequential oxalate precipitation to remove impurities from leach liquor. The effects of preheat treatment, leaching time, liquid/solid ratio, and acid concentration on Th, Sm, Pr, Nd, Ce, La, and U leaching yields were investigated. The best results were obtained at 400 °C preheated sample using 1 mol/L H<sub>2</sub>SO<sub>4</sub>, liquid/solid ratio of 1 mL/g, 60 min leaching time, and 30 °C leaching temperature. The leaching yields of Th, Sm, Pr, Nd, Ce, La, and U were found to be 41.7, 65.0, 68.2, 66.9, 84.3, 82.6, and 55.0% respectively. Th and REE liquors were treated with 0.5–1.5 mol/L H<sub>2</sub>C<sub>2</sub>O<sub>4</sub> solutions in the precipitation step. Purity was enhanced through three sequential precipitation cycles, resulting in a purity grade of 98.59%.</p>","PeriodicalId":661,"journal":{"name":"Journal of Radioanalytical and Nuclear Chemistry","volume":"9 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-31DOI: 10.1007/s10967-024-09709-x
Wael M. Badawy, Igor Silachyov, Andrey Dmitriev, Svetlana Lennik, Gehad Saleh, Mohammed Sallah
The elemental composition of 29 granite rock samples from the Gabel Elba–Wadi Eikhwan area situated in the southern sector of Egypt’s Eastern Desert were analyzed using neutron activation analysis (NAA) and X-ray fluorescence (XRF). Altogether, 45 major and trace elements were quantitatively determined. Bivariate and multivariate statistical analyses were conducted to distinguish and categorize the rock-forming elements according to their elemental content. The applied ratio indicators and discriminant diagrams show that the studied rock samples are well classified to be granite. The principal component analysis results demonstrate clustered samples of common geochemical features. The integration of NAA and XRF has demonstrated its efficacy and relevance in rock studies. The obtained results hold significant importance for the regions investigated and can serve as fundamental data for future assessments and prospects.
{"title":"Nuclear and complementary analytical techniques for elemental analysis of granite rock samples","authors":"Wael M. Badawy, Igor Silachyov, Andrey Dmitriev, Svetlana Lennik, Gehad Saleh, Mohammed Sallah","doi":"10.1007/s10967-024-09709-x","DOIUrl":"https://doi.org/10.1007/s10967-024-09709-x","url":null,"abstract":"<p>The elemental composition of 29 granite rock samples from the Gabel Elba–Wadi Eikhwan area situated in the southern sector of Egypt’s Eastern Desert were analyzed using neutron activation analysis (NAA) and X-ray fluorescence (XRF). Altogether, 45 major and trace elements were quantitatively determined. Bivariate and multivariate statistical analyses were conducted to distinguish and categorize the rock-forming elements according to their elemental content. The applied ratio indicators and discriminant diagrams show that the studied rock samples are well classified to be granite. The principal component analysis results demonstrate clustered samples of common geochemical features. The integration of NAA and XRF has demonstrated its efficacy and relevance in rock studies. The obtained results hold significant importance for the regions investigated and can serve as fundamental data for future assessments and prospects.</p>","PeriodicalId":661,"journal":{"name":"Journal of Radioanalytical and Nuclear Chemistry","volume":"36 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-31DOI: 10.1007/s10967-024-09718-w
Jan Kučera, Ctibor Povýšil, Jan Kameník
Instrumental neutron activation analysis (INAA) was employed to assay 32 minor and trace elements in bone of Bohemian Duke John of Görlitz (1370–1396) who suddenly died at the age 25 years for unknown reasons. Recently, histological examination of his illium bone was carried out, accompanied by histochemical staining reactions to learn about his health status. The INAA results disproved an elevated Al content indicated by the staining reaction with aluminon, but revealed elevated levels of Mn, As, Sb, and especially of Ag compared with literature values. The results are discussed in terms of toxicity of the above elements, especially whether their elevated levels could be the reason for Duke´s sudden death.
{"title":"INAA of bone remains of Bohemian Duke John of Görlitz: an attempt to explain his sudden death at the age of twenty-five years","authors":"Jan Kučera, Ctibor Povýšil, Jan Kameník","doi":"10.1007/s10967-024-09718-w","DOIUrl":"https://doi.org/10.1007/s10967-024-09718-w","url":null,"abstract":"<p>Instrumental neutron activation analysis (INAA) was employed to assay 32 minor and trace elements in bone of Bohemian Duke John of Görlitz (1370–1396) who suddenly died at the age 25 years for unknown reasons. Recently, histological examination of his illium bone was carried out, accompanied by histochemical staining reactions to learn about his health status. The INAA results disproved an elevated Al content indicated by the staining reaction with aluminon, but revealed elevated levels of Mn, As, Sb, and especially of Ag compared with literature values. The results are discussed in terms of toxicity of the above elements, especially whether their elevated levels could be the reason for Duke´s sudden death.</p>","PeriodicalId":661,"journal":{"name":"Journal of Radioanalytical and Nuclear Chemistry","volume":"13 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142219565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-29DOI: 10.1007/s10967-024-09706-0
Tatiana Poliakova, Martin Weiss, Alexander Trigub, Vasiliy Yapaskurt, Marina Zheltonozhskaya, Irina Vlasova, Clemens Walther, Stepan Kalmykov
Fuel “hot” particles are the most unpredictable dose-forming components in the soils of uranium contaminated regions, such as Chernobyl Exclusion Zone. Over time in the environment, “hot” particles undergo gradual dissolution with the release of uranium as well as fission and neutron-activation products trapped inside the uranium-oxide fuel matrix. The environmental fate of fuel particles depends not only on the environmental conditions but mainly on the conditions of their formation in the reactor and during the accident. In the present work micromorphology, fuel burnup and uranium oxidation state of several fuel “hot” particles, collected on the Western trace of Chernobyl fallout, were studied using a combination of non-destructive or semi-non-destructive techniques: gamma-spectrometry, secondary-ion mass-spectroscopy, scanning electron microscopy with energy-dispersive X-ray spectroscopy, the X-ray absorption near-edge structure and the high-energy resolution fluorescence-detected X-ray absorption near-edge structure spectroscopy. An attempt has been made to assess the contribution of the conditions of particle formation and the conditions of being in the environment to the current state of particles after more than a quarter of a century of history in the environment.