共查询到17条相似文献，搜索用时 93 毫秒
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金刚石中分子氢的赋存状态研究 总被引：1，自引：0，他引：1
金刚石中分子氢的定向红外光谱研究表明在垂直于(100),(110)和(111)三个方向上所测得分子氢的浓度是不相同的,且不同样品中的变化趋势也不同,即分子氢在金刚石中的定向性不明显;MNDO法计算结果显示分子氢在金刚石中的稳定程度大小关系依次为沿〈111〉定向的键心与反键心组合(a.b+b.c)〉六角体空隙(H)〉四面体空隙(T1)〉菱形中心(C1＝C2)〉四面体空隙(T2). 相似文献
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金刚石中晶格氢的UHF法计算分析 总被引：1，自引：0，他引：1
对金刚石中晶格氢进行了UHF法计算，结果表明，空穴吸引1～4个氢原子均可以稳定存在。空穴具有吸引较多氢原子在其周围的倾向，最多可以达到4个氢原子。当空穴吸引1个氢原子时，氢原子倾向于直接存在于碳晶格空穴中，不改变化学键的键长，即以顺磁性氢的状态存在时更为稳定。 相似文献
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产氢菌的发现是近代微生物学研究的一大重要进展。地质体中的氢代谢（氢的生成和利用）是微生物降解有机质形成烃类的重要环节。在石油生成过程中,氢是重要的中间产物及主产物。大分子化合物分解为小分子化合物、脱去含氧基团、烯烃成为饱和烃均需要补充氢。没有氢代谢便没有石油的大量生成。产氢菌含有氢化酶,具有生成H2的能力。一部分微生物在降解有机质的过程中形成H2,另一部分微生物利用H2进行生命活动,产氢耗氢一直处于一种稳定的动态平衡,产氢微生物只有在耗氢微生物存在下才能生长。耗氢微生物的耗氢作用又促进了产氢反应的连续进行,这种微生物的互营联合,发生在石油形成过程中的各个阶段。氢转移是厌氧降解有机质区别于有氧降解有机质的最重要特征。微生物生长繁殖受温度、营养及沉积环境的影响,从浅层至深层,微生物种群不断更替,原有的种群因环境改变而死亡,新的种群又会大量繁殖,死亡的微生物输入至沉积层便成为烃类。酶是一种具有催化活性的蛋白质,微生物的一切生命活动都离不开酶。一种酶只能催化一种反应或一类反应的完成,各阶段都有独特的酶系统,酶在完成专属代谢途径后,可转化成石油组分,如叶绿素转化成甲烷菌F430辅酶,再转化成卟啉。地层温度促进了有机质热裂解,使有机质中的C-C键断裂发生得更加频繁;厌氧微生物的降解作用也使有机质发生降解。二者方向相同,互为融合,使有机质的裂解加速。微生物对有机质改造形成烃类,其中脱去含氧官能团、产氢用氢形成饱和烃等作用,对讨论石油和天然气的形成具有重要意义。 相似文献
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金刚石的微区显微红外光谱分析及其意义 总被引：7，自引：3，他引：7
金刚石的微区显微红外光谱分析表明：金刚石的形成是一个结晶物化条件变异，原始物质变换的复杂而又漫长的过程；杂质N、H等在其中的分布不均匀；同一晶体的中心部位其氮聚合态的转变时间与边缘相差约602Ma；金刚石中的成键氢以对应－CH3的C－H键形式存在要比对应于＞C＝CH2的C－H键形式存在更为广泛。利用红外光谱研究晶化固态物质必须强调定向及微区研究的意义。 相似文献
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在地球科学实验中,氧逸度、氢逸度是反映待测体系的氧化还原状态和制约体系发展过程的重要参数。本文阐述了钇稳定氧化锆（YSZ）的导电机理和不同稳定剂（Y2O3）掺杂量对性质的影响,并列举了实验地球化学中利用YSZ传感器测定体系氧逸度、氢逸度及pH值的方法。与已有的其他氧/氢逸度测量方法相比较,YSZ传感器在实验中有耐高温、高压、抗腐蚀性强、响应快、原位测定特性好等诸多优点。最后指出了YSZ在应用于实验过程中的存在问题。随着陶瓷制作技术、微机械加工技术和微电子技术的发展,YSZ在地学实验中的应用将更加多样化和具有针对性。 相似文献
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浙江陈蔡群变质岩系的氢、氧、碳及锶稳定同位素研究 总被引：3，自引：0，他引：3
本文应用稳定同位素地球化学方法，对陈蔡群中变质矿物或岩石做了氢、氧、碳及锶同位素组成测定，从而探讨了变质岩的形成温度、变质水的性质和原岩的沉积环境等问题。 相似文献
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氢——地球深部流体的重要源泉 总被引：17，自引：7，他引：17
介绍了近年来金刚石包裹体中流体研究结果，特别是分子氢和羟基的发现。基于地幔中氢的发现，论证了氢在地球内部的赋存形式。地核和地幔中有氢化物存在得到高压低温实验、地球物理和天文物理测定的支持。从而提出，氢是地幔羽中的原始热物质。核幔边界或地幔中氢化物释放出的氢，发生化学反应，形成地幔流体，推动地球演化。地幔羽应称为氢羽。 相似文献
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I. W. M. Brown C. M. Cardile K. J. D. MacKenzie M. J. Ryan R. H. Meinhold 《Physics and Chemistry of Minerals》1987,15(1):78-83
The 29-Si NMR spectra of natural and synthetic leucites (KAlSi2O6) are found to contain a number of resonances which are interpreted in terms of the known structure of low-temperature (tetragonal) leucite. Computer simulation of the spectra suggests that the most distorted tetrahedral lattice site T 1 contains a higher proportion of Al than the other two tetrahedral sites. The occurrence of some ordering of the tetrahedral Si and Al in leucite is confirmed by Mossbauer studies of synthetic iron-containing leucites, including the fully ferric end-member KFeSi2O6, in which the three tetrahedral sites can be distinguished. On replacement of about half this Fe by Al, the most distorted of these sites is lost from the spectrum, reflecting the preference of Al for this site. A linear relationship is found between the unit cell dimensions of all these leucites and their iron content. 相似文献
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墨铜矿的穆斯堡尔谱特征 总被引：1，自引：0，他引：1
墨铜矿是典型的异类矿物结构基元层间层矿物．在其结构中，Ｆｅ可占据硫化物层中四次配位和氢氧化物层中六次配位两种位置。本文通过穆斯堡尔谱研究，确定了墨铜矿的穆斯堡尔谱谱型，并认为高自旋的Ｆｅ２＋占据四次配位位置，与Ｃｕ离子一起可能呈无序占位，配位环境的对称性较低，谱参数为：ＩＳ＝０．４２－０．４８ｍｍ／ｓ、ＱＳ＝０．８１－１．２８ｍｍ／ｓ及Ｈｉ约为２４０ＫＯｅ；低自旋的Ｆｅ３＋占据六配位位置，ＩＳ值为０．３２－０．３６ｍｍ／ｓ、ＱＳ值为０．４４－０．５９ｍｍ／ｓ。 相似文献
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B. Velde 《Physics and Chemistry of Minerals》1980,6(3):209-220
Infrared and X-ray diffraction studies were made on synthetic serpentines (Si4 to Si2Al2 tetrahedral compositions). Changes in cell dimensions and variations in infrared spectra indicate that ordering can occur in the octahedrally coordinated site and possibly the tetrahedral site. Octahedra order into an Mg3 and/or Mg2Al configuration depending upon bulk mineral composition. In the latter cases an Al ion preferentially fills only one of the large M2 sites found in dioctahedral minerals and is thus characteristic of neither di-nor trioctahedral minerals. Ordering in octahedral and possibly tetrahedral sites does not appear to affect the basic higher frequency vibrations (OH stretch, Si-O stretch) by creating new modes but definite band splitting is seen for vibrations of lower frequency. The alumina-free composition was crystallized into monophase products which can be assimilated to natural chrysotile or antigorite forms. Addition of alumina produces lizardite-type serpentines which are very closely related to the chrysotile structure as indicated by cell-dimension and Si-O stretch bands in infrared spectra. 相似文献
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绿柱石族宝石颜色丰富,一直是市场上重要的宝石品种。几十年来,国内外学者对不同颜色绿柱石的致色机理及改色工艺开展了广泛的研究。铁离子作为重要的致色过渡金属离子之一,其价态调控是绿柱石改色工艺的关键,所以铁离子的价态、晶格占位和对应的致色作用也一直是绿柱石研究的焦点。铁离子被认为可能存在于绿柱石中的铝氧八面体Al3+格位、硅氧四面体Si4+格位、铍氧四面体Be2+格位、结构通道2a或2b位和晶格间隙6g位等位置,是蓝、绿或黄等颜色绿柱石的主要致色元素。本文通过对绿柱石的晶体结构、铁离子的核外电子排布和晶格占位等方面文献资料的梳理及综合分析,认为Fe2+和Fe3+分别对蓝色和黄色绿柱石的呈色起着主导作用。当Fe2+和Fe3+处于晶格中不同位置时致色作用的具体差异,仍有待于进一步研究。 相似文献
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巨晶普通辉石的Ｍ１位分裂李一良，支霞臣，李玉芝，李铁，张裕恒（中国科学技术大学，合肥２３００２６）关键词巨晶辉石，Ｍ１位分裂，面积约束法，近邻边效应，Ｔ位铁单斜辉石的穆斯堡尔谱学研究历时已久。但由于其晶体结构和成份的复杂性、化学不均一性及出溶现象等［... 相似文献
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The Mössbauer spectra of one chromite at 298 K and one chromite at 298, 200, 170, 140 and 90 K have been analyzed in this study. A Voigt-based quadrupole splitting distribution (QSD) method was used to analyze the spectra. The tetrahedral site Fe2+ and the octahedral site Fe3+ quadrupole splitting distributions (QSDs) were obtained from the Mössbauer spectra of chromites, and the multiple tetrahedral site Fe2+ Gaussian QSD components and the large widths σ Δ of the Gaussian QSD components of the tetrahedral site Fe2+ QSDs for chromites were attributed to next-nearest neighbor effects. In addition, temperature dependences of the isomer shift and the quadrupole splitting were presented and discussed. Comparisons between the Mössbauer parameters for thickness-corrected folded spectra and raw-folded spectra of chromites were made, and the results show that the two sets of the Mössbauer parameters and ratios of ferric to total iron as well as χ2 are very close to each other. This is because of the small absorber thickness of chromites in this study. Comparisons between the Mössbauer parameters of chromites obtained using the Voigt-based QSD method and a Lorentzian doublet method were also made. The results show that there are some differences between the two sets of the Mössbauer parameters and ratios of ferric to total iron, but not significant. However, much larger χ2 were obtained when the Lorentzian doublet method was used to fit the spectra of chromites. This indicates that the Voigt-based QSD method is more adequate to analyze the Mössbauer spectra of chromites from the point of view of statistics. 相似文献
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Marco Merlini Mauro Gemmi Giuseppe Cruciani Gilberto Artioli 《Physics and Chemistry of Minerals》2008,35(3):147-155
High-temperature X-ray diffraction experiments have been performed on melilite solid solutions, on single crystal and powder samples. In åkermanite–gehlenite series, the volumetric thermal expansion increases from gehlenite, 26.5(2) E-06 K-1, to åkermanite, 31.2(1) E-06 K-1. The variation is related to the cation content in the tetrahedral T1 site of the structure, and the linear expansion along the a axis has the greatest variation as a function of composition. The expansion perpendicular to the tetrahedral layers does not present any significant variation as a function of composition. In the åkermanite–Na melilite series, the presence of Na in the [8]-coordinated site strongly increases the linear expansion along the c axis, while the volumetric expansion decreases from åkermanite to Na melilite, whose value can be extrapolated to 27.4 E-06 K-1 相似文献