<i xmlns='http://www.wiley.com/namespaces/wiley'>In‐situIn‐situ        high‐temperature Raman spectroscopic studies of the vibrational characteristics and microstructure evolution of sodium tungstate dihydrate crystal during heating and melting

Wang Jian; You Jinglin; Wang Min; Lu Liming; Sobol Alexander A.; Wan Songming

摘要

Abstract > In‐situ studies of the vibrational characteristics and microstructure evolution of the Na <sub>2</sub> WO <sub>4</sub> ·2H <sub>2</sub> O (sodium tungstate dihydrate) crystal during the temperature‐induced solid‐state phase transformation and melting process were carried out using high‐temperature Raman spectroscopic technique. Results showed that the thermal decomposition process of the Na <sub>2</sub> WO <sub>4</sub> ·2H <sub>2</sub> O crystal takes place mainly within the temperature range of 348–383?K, along with the structure transforming from the orthorhombic to cubic symmetry. As the sample temperature increased further, another solid‐state phase transformation from the cubic to orthorhombic structure was observed approximately at 893?K before melting occurred at 1023?K. Although the isolated [WO <sub>4</sub> ] 2? tetrahedron was preserved within the entire temperature range from room temperature to 1023?K, subtle changes were observed with the mean bond length of W–O bonds in the tetrahedron unit. Furthermore, Raman active vibrational modes of Na <sub>2</sub> WO <sub>4</sub> ·2H <sub>2</sub> O, two Na <sub>2</sub> WO <sub>4</sub> crystal phases, and corresponding melt were assigned based on the density functional theory simulation and compared with the literature data. Finally, four‐molecule cluster arranged as T <sub>d</sub> symmetry is considered to be the most likely configuration in the molten state according to density functional theory simulation based on the different multimolecular clusters proposed. </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><abstract xmlns =“http://www.wiley.com/namespaces/wiley”type =“main”xml：lang =“en”> <title type =“main”>抽象</ title> > <i >原位的研究Na <sub> 2 </ sub>·2h <sub> 2 </ sub> O（钨酸钠钠）的振动特性和微观结构演化的研究。使用高温拉曼光谱技术进行温度诱导固态相变和熔化过程中的二水合物）晶体。结果表明，Na <sub> 2 </ sub> wo <sub> 4 </ sub>·2h <sub> 2 </ sub> o晶体的热分解过程主要在348-383的温度范围内进行k，以及从正晶间转化为立方对称的结构。随着样品温度进一步增加，在熔化在1023℃下熔化之前，观察到从立方体到正交球结构的另一个固态相转变。虽然隔离的[WO <sub> 4 </ sub>] 2？</ sup>四面体在室温范围内保存到1023Ω·k的整个温度范围内，但用W的平均键长度观察到细微变化 - 在四面体单元中的键。此外，Na <sub> 2 </ sub> wo <sub> 4 </ sub>·2h <sub> 2 </ sub> o，两个na <sub> 2 </ sub> wo <sub的拉曼有源振动模式> 4 </ sub>晶相，基于密度泛函理论模拟分配相应的熔体，并与文献数据进行比较。最后，排列为 T </ i> <sub> d </ sub>对称性的四分子簇被认为是根据基于所提出的不同多分子集群的密度泛函理论模拟的熔融状态中最有可能的配置。 </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-35645/'>《Journal of Raman Spectroscopy: An International Journal for Original Work in All Aspects of Raman Spectroscopy, Including Higher Order Processes, and Also Brillouin- and Rayleigh Scattering》</a> <b style="margin: 0 2px;">|</b><span>2018年第10期</span><b style="margin: 0 2px;">|</b><span>共13页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wang Jian&option=202" target="_blank" rel="nofollow">Wang Jian;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=You Jinglin&option=202" target="_blank" rel="nofollow">You Jinglin;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wang Min&option=202" target="_blank" rel="nofollow">Wang Min;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lu Liming&option=202" target="_blank" rel="nofollow">Lu Liming;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Sobol Alexander A.&option=202" target="_blank" rel="nofollow">Sobol Alexander A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wan Songming&option=202" target="_blank" rel="nofollow">Wan Songming;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced Ferrometallurgy School of Materials Science and EngineeringShanghai UniversityShanghai China;</p> <p>State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced Ferrometallurgy School of Materials Science and EngineeringShanghai UniversityShanghai China;</p> <p>State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced Ferrometallurgy School of Materials Science and EngineeringShanghai UniversityShanghai China;</p> <p>CSIRO Mineral ResourcesPullenvale Queensland Australia;</p> <p>Prokhorov General Physics InstituteRussian Academy of SciencesMoscow Russia;</p> <p>Anhui Key Laboratory for Photonic Devices and Materials Anhui Institute of Optics and Fine MechanicsChinese Academy of SciencesHefei China;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/4724.html" title="光谱学">光谱学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=dehydration&option=203" rel="nofollow">dehydration;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=DFT&option=203" rel="nofollow">DFT;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=melt&option=203" rel="nofollow">melt;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=microstructure evolution&option=203" rel="nofollow">microstructure evolution;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Na 2 WO 4 ·2H 2 O&option=203" rel="nofollow">Na 2 WO 4 ·2H 2 O;</a> </p> <div class="translation"> 机译：脱水;DFT;熔体;微观结构演化;NA 2 WO 4·2H 2 O.; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704025814755.html"><i xmlns="http://www.wiley.com/namespaces/wiley">In‐situIn‐situ high‐temperature Raman spectroscopic studies of the vibrational characteristics and microstructure evolution of sodium tungstate dihydrate crystal during heating and melting</a> <b>[J]</b> . <span> <a 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