Transport and reaction properties of new Bor-hydride-hydrate-oxide sodalites

新型硼氢化物水合物氧化物方钠石的传输和反应特性

• 批准号: 238690921
• 负责人: Professor Dr. Thomas Bredow
• 金额: --
• 依托单位: Institut für Mineralogie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2016-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/238690921?language=en
• 关键词: Transport; reaction; properties; new; Bor

The transport and reaction properties of new Bor-hydride-hydrate-oxide-sodalites will be investigated using a combination of chemical exchange and diffusion experiments, characterisation methods involving local resolution (Micro-Raman spectroscopy) and DFT-state of the art calculations. BH4-sodalites form anions of type [H3B(OH)]-, [H2B(OH)2]-, [HB(OH)3]- and [B(OH)4]- and also [H2BO]-, [B(OH)2O]- and [BO2]- when moderately heated (between 150°C and 350°C). The thermodynamic stability and reaction kinetics of these species in the sodalite cages is unknown. The transport and reaction properties are related to the extraordinary properties of the sodalite structure which bears a reaction control. It is the aim to discover the mechanisms which lead to the various species and to find the parameters which govern the backreactions.

新的硼氢化物水合物氧化物钠长石的运输和反应性能将使用化学交换和扩散实验，表征方法，包括本地分辨率（显微拉曼光谱）和DFT的最先进的计算相结合的研究。当适度加热（在150°C和350°C之间）时，BH 4-方钠石形成类型为[H3 B（OH）]-、[H2 B（OH）2]-、[HB（OH）3]-和[B（OH）4]-以及[H2 BO]-、[B（OH）2 O]-和[BO 2]-的阴离子。这些物种在方钠石笼中的热力学稳定性和反应动力学是未知的。输运和反应性质与具有反应控制的方钠石结构的特殊性质有关。其目的是发现导致各种物种的机制，并找到控制逆反应的参数。

项目成果

Investigations of the Thermally Induced Hydrogen Release of NaBh4, Nh3Bh3 and Their Geopolymer Composites

NaBh4、Nh3Bh3及其地质聚合物复合材料的热释氢研究

• DOI: 10.1002/9781119321811.ch10
• 发表时间: 2016
• 作者: Z. Assi;L. Schomborg;C. H. Rüscher
• 通讯作者: C. H. Rüscher

Structure, Vibrational Spectra and (11)B-NMR Chemical Shift of Na8[AlSiO4]6(B(OH)4)2: Comparison of Theory and Experiment.

• DOI: 10.1021/acs.jpca.6b06508
• 发表时间: 2016-09
• 期刊: The journal of physical chemistry. A
• 作者: Alexander G Schneider;Lars Schomborg;Anna C. Ulpe;C. Rüscher;T. Bredow

Ammonia‐Borane Geopolymer (AB‐G) Composite

氨硼烷地质聚合物 (ABâG) 复合材料

• DOI: 10.1002/9781119211747.ch3
• 发表时间: 2015
• 作者: L. Schomborg;Z. Assi;J. C. Buhl;C. H. Rüscher;M. Wark
• 通讯作者: M. Wark

NH3BH3 and NaBH4 Enclosed in Geopolymers and Zeolites

NH3BH3 和 NaBH4 封装在地质聚合物和沸石中

• DOI: 10.1002/9781119234463.ch10
• 发表时间: 2015
• 作者: C. H. Rüscher;L. Schomborg;Z. Assi;J. C. Buhl
• 通讯作者: J. C. Buhl

NaBH4 Geopolymer Composites

NaBH4 地质聚合物复合材料

• DOI: 10.1002/9781119040293.ch1
• 发表时间: 2014
• 作者: L. Schomborg;C. H. Rüscher;J. C. Buhl;F. Kiesel
• 通讯作者: F. Kiesel