Thermal models and clay diagenesis in the Tertiary-Cretaceous sediments of the Alava block (Basque-Cantabrian basin, Spain)

Clay Minerals ◽  
2006 ◽  
Vol 41 (4) ◽  
pp. 791-809 ◽  
Author(s):  
J. Arostegui ◽  
F. J. Sangüesa ◽  
F. Nieto ◽  
J. A. Uriarte
Keyword(s):  
Clay Mineralogy ◽  
Source Area ◽  
The Other ◽  
Small Scale ◽  
Low Permeability ◽  
Thermal Flow ◽  
X Ray Diffraction ◽  
X Ray ◽  
Characteristic Features ◽  
Basque Cantabrian Basin

AbstractDiagenesis in the Cretaceous and Tertiary sediments of the Alava Block (Basque- Cantabrian basin) has been studied using the clay mineralogy (X-ray diffraction) of cuttings from three representative wells of a N—S cross-section. More than 5500 m of various lithologies (marls, mudstones and sandstones) have been drilled in the northern part of the domain, and 2100 m in the southern zone. The illitization of smectite and the disappearance of kaolinite, due to diagenesis, are the most characteristic features in the northern well. Evolution of smectite to illite has been differentiated into four zones, from top to bottom of the series, each showing specific I-S interstratified clay assemblages. The disappearance of smectite and the distribution of kaolinite in the other two wells are explained based on source-area considerations. Burial and thermal history have been reconstructed, revealing a northward increase in thermal flow until the Oligocene (Alpine orogeny paroxysm). In the northern well, the thermal model suggests temperatures of 160 and 270°C for the disappearance of smectite (R0) and illite-smectite (I-S) mixed-layer R1 clay minerals, respectively. The disappearance of kaolinite is related to a temperature of 230°C, a temperature never attained in the other two wells. Retardation of these processes, in relation to temperature values in the literature, is a consequence of the poor reactivity of marly lithologies, due to the low availability of cations. In this regard, the scarcity of reactants (K-bearing phases) and the absence of pathways (low permeability) for their access and circulation imply that illitization could have taken place in a closed system, by diffusion, on a very small scale, i.e. that of the original smectite grains.

The Electron Effect of Aromatic Group: Control Conformation of 2-Aromatic Cyclododecanone Derivatives

2020 ◽  
Vol 24 (10) ◽  
pp. 1139-1147
Author(s):  
Yang Mingyan ◽  
Wang Daoquan ◽  
Wang Mingan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
The Other ◽  
Repulsive Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Effect ◽  
Group Control

2-Phenylcyclododecanone and 2-cyclohexylcyclododecanone derivatives were synthesized and characterized by 1H NMR, 13C NMR, HR-ESI-MS and X-ray diffraction. Their preferred conformations were analyzed by the coupling constants in the 1H NMR spectra and X-ray diffraction, which showed the skeleton ring of these derivatives containing [3333]-2-one conformation, and the phenyl groups were located at the side-exo position of [3333]-2-one conformation due to the strong π-π repulsive interaction between the π- electron of benzene ring and π-electron of carbonyl group. The cyclohexyl groups were located at the corner-syn or the side-exo position of [3333]-2-one conformation depending on the hindrance of the other substituted groups. The π-π electron effect played a crucial role in efficiently controlling the preferred conformation of 2-aromatic cyclododecanone and the other 2-aromatic macrocyclic derivatives with the similar preferred square and rectangular conformations.

scholarly journals Provenance and Sedimentary Context of Clay Mineralogy in an Evolving Forearc Basin, Upper Cretaceous-Paleogene and Eocene Mudstones, San Joaquin Valley, California

Minerals ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 71
Author(s):  
Andrew Hurst ◽  
Michael Wilson ◽  
Antonio Grippa ◽  
Lyudmyla Wilson ◽  
Giuseppe Palladino ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Upper Cretaceous ◽  
Clay Fraction ◽  
Clay Mineralogy ◽  
Bulk Rock ◽  
X Ray Diffraction ◽  
Arc Volcanism ◽  
X Ray ◽  
Magmatic Arc ◽  
Tropical Weathering

Mudstone samples from the Moreno (Upper Cretaceous-Paleocene) and Kreyenhagen (Eocene) formations are analysed using X-ray diffraction (XRD) and X-ray fluorescence (XRF) to determine their mineralogy. Smectite (Reichweite R0) is the predominant phyllosilicate present, 48% to 71.7% bulk rock mineralogy (excluding carbonate cemented and highly bio siliceous samples) and 70% to 98% of the <2 μm clay fraction. Opal CT and less so cristobalite concentrations cause the main deviations from smectite dominance. Opal A is common only in the Upper Kreyenhagen. In the <2 μm fraction, the Moreno Fm is significantly more smectite-rich than the Kreyenhagen Fm. Smectite in the Moreno Fm was derived from the alteration of volcaniclastic debris from contemporaneous rhyolitic-dacitic magmatic arc volcanism. No tuff is preserved. Smectite in the Kreyenhagen Fm was derived from intense sub-tropical weathering of granitoid-dioritic terrane during the hypothermal period in the early to mid-Eocene; the derivation from local volcanism is unlikely. All samples had chemical indices of alteration (CIA) indicative of intense weathering of source terrane. Ferriferous enrichment and the occurrence of locally common kaolinite are contributory evidence for the intensity of weathering. Low concentration (max. 7.5%) of clinoptilolite in the Lower Kreyenhagen is possibly indicative of more open marine conditions than in the Upper Kreyenhagen. There is no evidence of volumetrically significant silicate diagenesis. The main diagenetic mineralisation is restricted to low-temperature silica phase transitions.

THE CLAY MINERALS IN SOME BRITISH COLUMBIA SUBSOILS

1962 ◽  
Vol 42 (2) ◽  
pp. 296-301 ◽  
Author(s):  
J. S. Clark ◽  
J. E. Brydon ◽  
H. J. Hortie
Keyword(s):  
British Columbia ◽  
Diffraction Analysis ◽  
Clay Minerals ◽  
Clay Mineralogy ◽  
X Ray Diffraction ◽  
The South ◽  
Parent Materials ◽  
X Ray ◽  
Northeastern Part ◽  
Montmorillonitic Clay

X-ray diffraction analysis was used to identify the clay minerals present in fourteen subsoil samples that were selected to represent some more important clay-bearing deposits in British Columbia. The clay mineralogy of the subsoils varied considerably but montmorillonitic clay minerals tended to predominate in the water-laid deposits of the south and illite in the soil parent materials of the Interior Plains region of the northeastern part of the Province.

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

Studies Directed Towards the Total Synthesis of Anticapsin and Related Compounds. IV. Competitive Reaction of Amino and Carboxy Substituents in the Halohydrination of 2-Aminobicyclo[2.2.2]oct-5-ene-2-carboxylic Acid Derivatives

1994 ◽  
Vol 47 (12) ◽  
pp. 2221 ◽  
Author(s):  
MJ Crossley ◽  
SR Davies ◽  
TW Hambley
Keyword(s):  
Total Synthesis ◽  
The Other ◽  
X Ray Diffraction ◽  
Amino Groups ◽  
Competitive Reaction ◽  
Trimethylsilyl Group ◽  
X Ray ◽  
Tricyclic Compounds ◽  
Tricyclic Compound ◽  
Related Compounds

Bromohydrination of benzyl (1RS,2SR,4SR)-2-benzyloxycarbonylamino-1-trimethylsilyloxy-bicyclo[2.2.2]oct-5-ene-2-carboxylate (6a) and the (1RS,2RS,4SR)- diastereomer (6b) with N- bromoacetamide in aqueous dioxan has been investigated. These reactions are highly regio-and stereo-selective and give the corresponding bromohydrins (9a) and (9b), but in moderate to low yield. These bromohydrins have the necessary stereochemistry for conversion into anticapsin. The other products from the reaction are tricyclic compounds formed by capture of the anti- bromonium cation intermediates or resultant bromohydrins by interaction with the proximal protected carboxy and amino groups within the molecules. Thus the carbolactone (11) is formed from the endo -adduct (6a), and the carbonimidic acid derivative (12) and the cyclic urethane (13) are formed from the exo-adduct (6b). Cleavage of the trimethylsilyl group from the tricyclic compound (12) gives benzyl (1RS,2RS,3RS,7RS,8RS)-5-benzyloxy-2-bromo-8-hydroxy-4-oxa-6-azatricyclo[5.3.1.03,8]undec-5-ene-7-carboxylate(14), the structure of which was determined by X-ray diffraction methods and refined to a residual of 0.035 for 1549 independent observed reflections. The crystals of (14) are monoclinic, P21/c, a 12.954(3), b 6.197(3), c 26.784(7) Ǻ, β 95.33(2)°, Z 4. Reactions attempting to generate iodohydrins from the alkenes (6) were also highly regioselective and gave detrimethylsilylated iodo analogues of (11) and (13).

Molecular tapes in the structure of isoguaninium chloride

2017 ◽  
Vol 74 (1) ◽  
pp. 108-112 ◽  
Author(s):  
Urszula Anna Budniak ◽  
Paulina Maria Dominiak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Charge Density ◽  
Interaction Energy ◽  
Electrostatic Interaction ◽  
Electrostatic Interactions ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Structure

Isoguanine, an analogue of guanine, is of intrinsic interest as a noncanonical nucleobase. The crystal structure of isoguaninium chloride (systematic name: 6-amino-2-oxo-1H,7H-purin-3-ium chloride), C5H6N5O+·Cl−, has been determined by single-crystal X-ray diffraction. Structure analysis was supported by electrostatic interaction energy (E es) calculations based on charge density reconstructed with the UBDB databank. In the structure, two kinds of molecular tapes are observed, one parallel to (010) and the other parallel to (50\overline{4}). The tapes are formed by dimers of isoguaninium cations interacting with chloride anions. E es analysis indicates that cations in one kind of tape are oriented so as to minimize repulsive electrostatic interactions.

Solid-state Thermoelectric Characteristics of NiII, FeII, CoII, and CuII Borohydrides

2021 ◽  
Author(s):  
Isam M. Arafa ◽  
Mazin Y. Shatnawi ◽  
Yousef N. Obeidallah ◽  
Ahmed K. Hijazi ◽  
Yaser A . Yousef
Keyword(s):  
Energy Transport ◽  
Waste Heat ◽  
Mixed Valence ◽  
Small Scale ◽  
X Ray Diffraction ◽  
Promising Candidate ◽  
X Ray ◽  
Cold Pressed ◽  
Thermal Energy Transport ◽  
Body Heat

Abstract Four transition metal borohydrides (MTBHs, MT = Ni, Fe, Co, and Cu) were prepared by sonicating a mixture of the desired MT salt with excess NaBH4 in a nonaqueous DMF/CH3OH media. The process afforded bimetallic (Ni-BH4), trimetallic (Fe-BH4, Co-BH4), and mixed-valence (Cu-H, Cu-BH4) amorphous, ferromagnetic nanoparticles as identified by thermal, ATR-IR, X-Ray diffraction, and magnetic susceptibility techniques. The electrical conductivity (σ) of cold-pressed discs of these MTBHs shows a nonlinear increase while their thermal conductivity (κ) decreases in the temperature range of 303 ≤ T ≤ 373 K. The thermal energy transport occurs through phonon lattice dynamics rather than electronic. The σ/κ ratio shows a nonlinear steep increase from 9.4 to 270 KV-2 in Ni-BH4, while a moderate-weak increase is observed for Fe-BH4, Co-BH4, and Cu-BH4. Accordingly, the corresponding thermoelectric (TE) parameters S, PF, ZT, and η were evaluated. All TE data shows that the bimetallic Ni-BH4 (S, 80 μVK-1; PF, 259 μWm-1K-2; ZT 0.64; η, 2.56%) is a better TE semiconductor than the other three MT-BHs investigated in this study. Our findings show that Ni-BH4 is a promising candidate to exploit low-temperature waste heat from body heat, sunshine, and small domestic devices for small-scale TE applications.

Comparative Spectroscopic Studies on Luminescence Performance of Er3+ Doped Tellurite Glass Embedded with Different Nanoparticles (Ag Co and Fe) at 0.55 μm Emission

2021 ◽  
Vol 317 ◽  
pp. 81-86
Author(s):  
Syariffah Nurathirah Syed Yaacob ◽  
Md. Rahim Sahar ◽  
Faizani Mohd Noor ◽  
Nur Liyana Amiar Rodin ◽  
Siti Khadijah Mohd Zain ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Ground State ◽  
Tellurite Glass ◽  
Spectroscopic Studies ◽  
The Other ◽  
X Ray Diffraction ◽  
Melt Quenching ◽  
X Ray ◽  
Doped Glass ◽  
Luminescence Performance

The spectroscopic performance of Er3+ doped glass at 0.55 mm emission contain different nanoparticles NPs have been comparatively evaluated. Glass containing 1.0 mol % of Er3+ doped with different NPs (Ag, Co and Fe ) have been prepared using melt quenching technique. X-ray diffraction analysis reveals the all the prepared samples are amorphous. The UV-Vis absorption spectra of all glasses show several prominent peaks at 525 nm, 660 nm, 801nm, 982 nm and 959 nm due to transition from ground state 4I15/2 to different excited of 2H11/2, 4F9/2, 4I9/2, 4I11/2, and 4I13/2. The emission of Er3+ at 0.55 mm for glass contain Ag NP shows significant enhancement about 3 folds up to 0.6 mol%. On the other hand, the emission of Er3+ at 0.55 mm for glass containing Fe NPs and Co NPs intensely quench probably due to the energy-transfer from Er3+ ion to NPs and magnetic contributions.

Are mesoionic compounds aromatic?

1998 ◽  
Vol 76 (6) ◽  
pp. 869-872 ◽  
Author(s):  
Alfredo Mayall Simas ◽  
Joseph Miller ◽  
Petrônio Filgueiras de Athayade Filho
Keyword(s):  
Experimental Evidence ◽  
Key Words ◽  
Dipole Moments ◽  
The Other ◽  
Side Chain ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
Ring Plane ◽  
X Ray ◽  
Single Bonds

We have evaluated the experimental evidence relevant to the structure and character of mesoionic compounds, accumulated for more than 100 years and including X-ray diffraction studies. We have also evaluated relevant theoretical studies. All these, including our own extensive work, lead us to conclude that mesoionic compounds are not aromatic. According to our recent definition “mesoionic compounds are planar five-membered heterocyclic betaines with at least one side chain whose α-atom is also in the ring plane and with dipole moments of the order of 5 D. Electrons are delocalized over two regions separated by what are essentially single bonds. One region, which includes the a-atom of the side chain is associated with the HOMO and negative π-charge whereas the other is associated with the LUMO and positive π-charge.” Key words: mesoionic compounds, betaines, aromaticity.

scholarly journals Effect of Surfactant Addition on Bi2Te3 Nanostructures Synthesized by Hydrothermal Method

2017 ◽  
Vol 62 (2) ◽  
pp. 1005-1010 ◽  
Author(s):  
Peyala Dharmaiah ◽  
C.H. Lee ◽  
B. Madavali ◽  
Soon-Jik Hong
Keyword(s):  
Electron Microscopy ◽  
Hydrothermal Method ◽  
Figure Of Merit ◽  
Bulk Sample ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coarse Grains ◽  
Scanning Electron ◽  
Nanostructured Sample

AbstractIn the present work, we have prepared Bi2Te3nanostructures with different morphologies such as nano-spherical, nanoplates and nanoflakes obtained using various surfactant additions (EG, PVP, and EDTA) by a hydrothermal method. The shape of the nanoparticles can be controlled by addition of surfactants. The samples were characterized by x-ray diffraction (XRD) and scanning electron microscopy (SEM). It is found that the minority BiOCl phase disappears after maintained pH at 10 with EG as surfactant. SEM bulk microstructure reveals that the sample consists of fine and coarse grains. Temperature dependence of thermoelectric properties of the nanostructured bulk sample was investigated in the range of 300-450K. The presence of nanograins in the bulk sample exhibits a reduction of thermal conductivity and less effect on electrical conductivity. As a result, a figure of merit of the sintered bulk sample reached 0.2 at 400 K. A maximum micro Vickers hardness of 102 Hv was obtained for the nanostructured sample, which was higher than the other reported results.

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