共查询到20条相似文献，搜索用时 343 毫秒
1.
采用最新的量子化学半经验计算方法MNDO－PM3，对作为粘土矿物结构基元的六元环分子体系进行了结构与能量的计算，揭示了结构变形的精确程度，并利用能量的差异大小，讨论了几种同分异构体的稳定性。 相似文献
2.
粘土矿物分子片段Si6O18H12,（Si5AlO18H12）—和（Si4Al2O18H12）的计算研究 总被引：1，自引：0，他引：1
采用最新的量子化学半经验计算方法ＭＮＤＯ－ＰＭ３，对作为粘土矿物结构基元的六元环分子全系进行进行结构与能量的计算，揭示了结构变形的精确程度，并利用能量的差异大小，讨论了几种同分异构体的稳定性。 相似文献
3.
一个由分馏引起的Sm—Nd模式年龄误差计算公式的更正 总被引：2，自引：1，他引：2
本文通过对分馏引起的Ｓｍ－Ｎｄ模式年龄扰动与源岩Ｓｍ－Ｎｄ模式年龄对比发现，两者模式年龄差值远大于由Ｎｅｌｓｏｎ和ＤｅＰａｏｌｏ（１９８５）给出的Ｓｍ－Ｎｄ分馏所致的模式年龄误差公式计算出的值，经重新推导，发现原公式有误，正确的Ｓｍ－Ｎｄ分馏模式年龄误差计算公式应为：ＥｒｒｔＤＭ≈△ｆ＾ｆ／ｓｓｍ／Ｎｄ／△ｆ＾ｆ／ＤＳｍ／Ｎｄ（ｔＤＭ－ｔｍ）。 相似文献
4.
层状大地上中心回线与重叠回线的近区视角电阻率公式中，延时t的幂指数n以往都当作常数，实际是一变数，笔者推导证明它的差值△n与视纵向电导S的对数差分相当，因此可以用于直接划分地层的解释，为此做了相当数量的数学模型计算，结果表明在一定条件下能较好地划分地层，但观测精度要求很高。 相似文献
5.
《岩土力学》2017,(Z1):1-10
基于能量守恒思想,采用径向条分法,假设虚拟位移,建立滑坡的稳定性计算数学模型,为滑坡稳定性分析提供了一种新的方法。基于虚拟位移ds,推导了滑坡重力势能增量(35)U和滑面摩擦耗能(35)W,定义了能量法滑坡稳定性系数Sc,分别给出了在不考虑地下水和考虑地下水两种情况下滑坡稳定系数Sc的数学表达式。通过算例分析,并与极限平衡法中的简布法计算结果对比,结果表明,不考虑地下水情况下能量法的计算结果与简布法较为接近,且前者稳定系数略高,差值比为0.19%;考虑地下水影响的情况下能量法计算结果与简布法的差值比为9.77%,前者稳定系数较低,即能量法中地下水对滑坡稳定性系数影响较大。基于算例1,对模型的主要参数进行了关于稳定系数Sc的敏感性分析。最后从本质上对比分析了能量法与简布法的异同。 相似文献
6.
青海湖沉积物中的甾醇及其演化 总被引：3，自引：0，他引：3
Ｃ２７，Ｃ２８和Ｃ２９甾醇（△５.２２，△２２，△５和△５.２４（２８）和５α－甾烷醇）在青海湖三孔近代沉积物（ＱＨ，ＱＥ和ＱＯ）中被检出。其中以Ｃ２９甾醇占优势。在ＱＥ和ＱＧ孔沉积物中还检出了低浓度的三个Ｃ３０甾醇（４α，２３，２４－三甲基－５α－胆甾－２２Ｅ－烯醇（甲藻甾醇），４α－甲基－２４－乙基－５α－胆甾－２２Ｅ－烯醇和４α－甲基－２４－乙基－５α－胆甾烷醇］。在ＱＨ和ＱＧ孔上部层段沉积物中，Ｃ２７，Ｃ２９.饱和的和不饱和的甾醇的碳数分布的平行性，甾烷醇/△５－甾醇及△２２－/△５.２２－甾醇的比值随沉积物埋深而增加提供了甾酸氢化作用的间接证据。青海湖沉积物中的甾醇主要来自湖区丰富的高等植物和湖中的藻类等。在ＱＧ孔８０～１００ｃｍ和１２０～１４０ｃｍ层段沉积物中，５ａ－胆甾烷醇浓度迅速增加可能反映特殊的生物（介形类）对该二层段沉积物中高浓度的胆甾烷醇的贡献。 相似文献
7.
在温度为673～923K压力为10～50MPa的范围内,研究了H_2O-NaCl,H_2O-KCl,H_2-CaCl_2系统的水解反应。实验之前,根据温度T在压力P=0.1MPa条件下计算了反应式MCl_3+H_2O_(gas)=MOH_(s,l)+HCl_(gas)的差值△S,△G和平衡常数。随着温度从300K上升到1000K,所用盐类的水解反应的平衡常数增长20。在固相与气相平衡区内完成了一系列实验。并且将热力平衡常数和由实验数据计算所得的进行比较。多数实验是在液相与气相平衡区内在高压釜中进行的。平衡后,在淬火状态,测定了氢离子浓度,△pH=pH(1)-pH(g)的值随温度T的上升而增长。气相中富集了易挥发的HCl 相似文献
8.
不论潜水井还是承压水井,抽水试验中井内水位和井壁水位之间都存在着一个水位差值,通常把这种井内动水位低于井壁动水位的现象称为“水跃”或“渗出面”,其水位差值称为“水跃值（△h）”。对于潜水井水跃值的计算,曾进行过大量研究工作,其中,阿勃拉莫夫通过实验室工作而获得的潜水井水跃值计算的经验公式,目前已经普遍应用。 相似文献
9.
俞炯霞 《物探化探计算技术》1982,(1)
条件观测平差法(以下简称条件平差法)是平差方法的一种。它具有方法严谨、计算精度高等特点。尤其适用于以闭合环形式联测的重力基点网的平差。但由于它的计算较复杂,特别在观测值个数较多时,计算工作量很大,且极易出错,影响了方法的使用。但是在采用电子计算技术后,计算的速度和精度就可大大提高。去年,我队根据条件平差的原理编制了DJS—6(108)机和M—160Ⅱ机程序(适用于处理大数据量),分别在108机和M—160Ⅱ机上完成了河北省Ⅰ级重力基点网的平差(该网包括20个基点,26个重力增量值,分六个闭合环)。计算了各边重力增量的平差值、各基点重力值的中误差以及各项检验计算。全部计算及打印时间在108机上是一分半钟,在M—160Ⅱ 相似文献
10.
航磁△T剖面异常场源深度计算的切线法是基于中高磁纬度区建立起来的计算剖面磁异常场源深度行之有效的传统方法，以此方法为基础，明确地提出计算低磁纬度区△T剖面负磁异常场源深度的异常“反切”概念和做法，并从理论上证明了其正确性。通过△T剖面负磁异常的“反切”做法，使得传统的计算中高磁纬度区△T剖面磁异常场源深度的切线法及系数表可直接用于低磁纬度区，从而圆满地解决了低磁纬度区利用切线法计算△T剖面负磁异常场源深度的问题。 相似文献
11.
利用钾长石粉体水热合成13X沸石分子筛的晶化过程 总被引：2，自引：1，他引：1
实验研究了以钾长石粉体为原料水热合成13X沸石分子筛的晶化过程,确定了晶化过程的诱导期、晶化期和沸石晶体的平均生长速率。以钾长石焙烧熟料为前驱物合成13X沸石,反应混合物首先转变为铝硅酸钠（钾）凝胶,再逐步水热晶化为13X沸石;在反应物未完全转变为铝硅酸钠（钾）凝胶之前,13X沸石已开始结晶。13X沸石晶体的生成主要发生在凝胶相内部,是凝胶结构逐步趋于有序化的过程。13X沸石晶体生成是由凝胶相内的[TO4]四面体相互连接,互套构成笼状结构。推测13X沸石形成机理为：硅酸根离子和铝酸根（+铁酸根）离子发生聚合反应,生成次级结构单元双六元环;双六元环进一步缩合,生成方钠石型笼;最后,方钠石型笼进一步相互联结,生成13X型沸石分子筛的硅铝骨架结构。 相似文献
12.
Structural changes of synthetic opal by heat treatment 总被引：1，自引：0，他引：1
Akane Arasuna Masayuki Okuno Hiroki Okudera Tomoyuki Mizukami Shoji Arai Shin’ichi Katayama Mikio Koyano Nobuaki Ito 《Physics and Chemistry of Minerals》2013,40(9):747-755
The structural changes of synthetic opal by heat treatment up to 1,400 °C were investigated using scanning electron microscopy, X-ray diffraction, and Fourier transform infrared and Raman spectroscopies. The results indicate that the dehydration and condensation of silanol in opal are very important factors in the structural evolution of heat-treated synthetic opal. Synthetic opal releases water molecules and silanols by heat treatment up to 400 °C, where the dehydration of silanol may lead to the condensation of a new Si–O–Si network comprising a four-membered ring structure of SiO4 tetrahedra, even at 400 °C. Above 600 °C, water molecules are lost and the opal surface and internal silanol molecules are completely dehydrated by heat effect, and the medium-temperature range structure of opal may begin to thermally reconstruct to six-membered rings of SiO4 tetrahedra. Above 1,000 °C, the opal structure almost approaches that of silica glass with an average structure of six-membered rings. Above 1,200 °C, the opal changes to low-cristobalite; however, minor evidence of low-tridymite stacking was evident after heat treatment at 1,400 °C. 相似文献
13.
The time and temperature evolution of twinning in cordierite is simulated using three computer models. The orientation of
walls between twin domains in natural cordierite follows mainly the ferroelastic pattern which minimises the strain energy
of the walls between twin-related domains. Such ferroelastic twinning is simulated in an elastic three-states Potts model
in which each structural six-membered ring is represented by a three state pseudo-spin. The resulting twin pattern in a sample
with 3169 structural rings shows sector trilling and fine scale ferroelastic wall patterns which coarsen with increasing annealing
time. The poorly defined wall directions observed in cordierite were found to be related to twin walls which do not minimise
the strain energy. Instead, these walls are located along the corners of pseudo-hexagonal rings and appear as the consequence
of local rather than global interatomic interactions. Simulations using two-dimensional (38028 atoms) and three-dimensional
(408 228 atoms) structural models show a predominance of these topological walls over the strain walls at early stages in
the ordering process. The domain structure in the simulation is patchy rather than corresponding to repeated stripe structures
found in other ferroelastic and co-elastic materials. In all models, a strong tendency for sector trilling is observed. In
kinetic tweed patterns a novel 60o tweed is found at atomic length scales while the usual strain-mediated 90o tweed appears
at mesoscopic length scales. An unusual surface tension effect in domain formation and ’writhing’, fluid-like motion was found
in the three-dimensional structural model. This motion, along with the existence of non strain-mediated walls may contribute
to cordierite’s poorly defined domain wall directions at the early stages of domain coarsening.
Received: 11 March 1998 / Revised, accepted: 28 August 1998 相似文献
14.
David A. McKeown Charles C. Kim Michael I. Bell 《Physics and Chemistry of Minerals》1995,22(3):137-144
The normal modes of vibration and their frequencies are calculated for dioptase, a mineral whose crystal structure (space group R
or C
3i
2
) consists of puckered six-membered silicate rings (Si6O18) linked by Cu2+ ions and H2O groups. The calculation employs a valence force potential consisting of central interactions between nearest neighbors and bond-bending interactions centered at the Si4+ and Cu2+ ions. The force constants are determined by fitting the calculated frequencies to values obtained by measuring the single-crystal Raman spectra. The calculated frequencies are in reasonable agreement with experiment, permitting assignment of normal modes to the observed spectral frequencies. Considerable mixing of Cu and H2O motions with those of the ring is found for the Raman-active modes below 430 cm-1. The normal modes and frequencies of the hypothetical isolated ring with C
3i
symmetry are determined by neglecting all interactions between the rings and the surrounding Cu and H2O. The identification of normal modes characteristic of the puckered six-membered silicate rings and the effect of the environment on these modes may prove useful in the interpretation of the Raman spectra of amorphous silicates. 相似文献
15.
The short range distribution of interatomic distances in three feldspar glasses has been determined by X-ray radial distribution analysis. The resulting radial distribution functions (RDF's) are interpreted by comparison with RDF's calculated for various quasi-crystalline models of the glass structure.The experimental RDF's of the alkali feldspar glasses were found to be inconsistent with the four-membered rings of tetrahedra associated with crystalline feldspars; the structures of these glasses are probably based on interconnected six-membered rings of the type found in tridymite, nepheline, or kalsilite. In contrast, the RDF of calcic feldspar glass is consistent with a four-membered ring structure of the type found in crystalline anorthite. T-O bond lengths (T = Si,Al) increase from 1.60 Å in SiO2 glass [J. H. Konnert and J. Karle (1973) Acta Cryst.A29, 702–710] to 1.63 Å in the alkali feldspar glasses to 1.66 Å in the calcic feldspar glass due to the substitution of Al for Si in the tetrahedra] sites. The T-O-T bond angles inferred from the RDF peak positions are 151° in SiO2 glass (see reference above), 146° in the alkali feldspar glasses, and 143° in the calcic feldspar glass. Detail in the RDF at distances greater than 5 Å suggests that the alkali feldspar glasses have a higher degree of long range order than the calcic feldspar glasses.Assuming that the structural details of our feldspar glasses are similar to those of the melts, the observed structural differences between the alkali feldspar and calcic feldspar glasses helps explain the differences in crystallization kinetics of anhydrous feldspar composition melts. Structural interpretations of some thermodynamic and rheologic phenomena associated with feldspar melts are also presented based on these results. 相似文献
16.
地表温度和地表辐射温度差值分析 总被引：13，自引：1，他引：12
依据实验数据,研究利用标准黑体源对红外辐射计测定值进行标定的方法;分析天空比辐射率的变化特性;计算天空环境辐射,与长波辐射计测定值进行比较;推算考虑天空环境辐射和地表比辐射率后的地表温度,研究地表温度与地表辐射温度的差值。结果表明：①地表辐射温度未经标准黑体源标定与标定后的差值绝对值在0.1～1℃之间;②天空比辐射率的变化范围为0.75～0.85,不同下垫面天空比辐射率日变化趋势非常一致;③用空气温湿度计算的天空环境辐射与长波辐射计测定值的差值较小,相对误差平均为3.1%,但是天空37°热红外辐射计观测值与长波辐射计测定值差值较大,相对误差平均值达到38.1%;④地表温度高于地表辐射温度,差值在0.2～1.5℃之间。 相似文献
17.
The average local structure of a rhyolitic composition glass has been determined at 25°C using X-ray radial distribution analysis (RDA) and quasi-crystalline modelling and is best described as similar to that in a stuffed framework composed principally of six-membered rings of Si and Al tetrahedra (basically a stuffed tridymite-like model). Using this model it is possible to calculate a density (2.41 g/cm3) which compares well with the measured density (2.40 g/cm3); a structural model based on four-membered rings (an albite-like model) results in a substantially higher calculated density (2.60 g/cm3). We suggest that the rhyolite glass structural model is appropriate for rhyolitic melts, based on evidence from the recent literature. New viscosity data for an anhydrous rhyolite composition measured between 1200°C and 1500°C are presented and interpreted in terms of our proposed structural model and previous melt structure models for the major normative components of rhyolite. A mechanism for diffusion and viscous flow in framework silicate melts (including rhyolite composition) is proposed on the basis of recent molecular orbital calculations and molecular dynamics simulations of silicate and fluoride melts. 相似文献
18.
大宝山铜矿床为新发现,控矿因素、矿床成因、成矿规律和深部隐伏矿预测等方面研究尚不足。大宝山铜矿区的岩石、矿石存在明显的物性差异,激电极化法的找矿效果显著,可在地质条件相似的周围地区隐伏矿预测中推广应用。 相似文献
19.
碳酸盐岩的结构是在特定的沉积环境或成岩环境里形成,因此,能反映岩石的成因与发展史。某些典型的结构不仅是有指“相”意义,而且能作为找矿标志。本文对华北下古生界碳酸盐岩中的正延性玉髓、石膏型方解石假晶和具有多圈层氧化铁薄膜结构的高能鲕粒等三类结构的形成与环境意义和找矿意义依次进行了论述。 相似文献