Expert System for Structural Characterization of Phyllosilicates: II. Application to Mixed-Layer Minerals

Clay Minerals ◽  
1994 ◽  
Vol 29 (1) ◽  
pp. 39-45 ◽  
Author(s):  
V. A. Drits ◽  
A. Plançon
Keyword(s):  
Expert System ◽  
Mixed Layer ◽  
Structural Characterization ◽  
Structural Parameters ◽  
Margin Of Error ◽  
Xrd Patterns

AbstractThe expert system described in the first part of this paper has been applied to the identification of mixed-layer phyllosilicates (mica-smectite, mica-vermiculite, chlorite-smectite, chlorite-vermiculite, chlorite-swelling chlorite, chlorite-mica, chlorite-talc, kaolinite-smectite, talc-smectite), and to the determination of their structural parameters (Reichweite, R, and proportions of constituting layers, Wi). The expert system has been run utilizing the data extracted from (1) experimental XRD patterns for which structural parameters had been evaluated by comparison with calculated patterns, or (2) patterns calculated using pre-selected values of the structural parameters. In all cases examined, the expert system provided correct conclusions concerning the identification of a mixed-layer phyllosilicate and the value of the Reichweite, while the abundances of the component layers were evaluated with a margin of error usually <5%.

An expert system for the structural characterization of kaolinites

Clay Minerals ◽  
1990 ◽  
Vol 25 (3) ◽  
pp. 249-260 ◽  
Author(s):  
A. Plançon ◽  
C. Zacharie
Keyword(s):  
Expert System ◽  
Defect Structure ◽  
Defect Structures ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Diffraction Patterns ◽  
Xrd Patterns

AbstractUntil recently, the determination of the defect structures (previously referred to incorrectly as “crystallinity”) of kaolinites has been obtained in one of two ways: (1) measurement of the Hinckley index, or (2) by comparing calculated X-ray diffraction patterns based on a model of the defect structure (including types of defects and abundances) with experimental diffraction profiles. The Hinckley method is simple and easy to perform but contains no real information about the defect structure. Calculated XRD patterns are based on real defects but these calculations are time consuming and require some skill in application. Another approach is proposed: an expert system which will accurately describe the defect structure of kaolinites based on a few measurements taken from a normal powder diffraction profile. This system has been verified for nine kaolinite samples for which the defect structure was previously determined by comparison of calculated and observed diffraction profiles. The expert system reproduced the correct defect structure for each of the samples.

Expert System for Structural Characterization of Phyllosilicates: I. Description of the Expert System

Clay Minerals ◽  
1994 ◽  
Vol 29 (1) ◽  
pp. 33-38 ◽  
Author(s):  
A. Plançon ◽  
V. A. Drits
Keyword(s):  
Infrared Spectroscopy ◽  
Expert System ◽  
Mixed Layer ◽  
Structural Characterization ◽  
Stacking Faults ◽  
X Ray Diffraction ◽  
Application Field ◽  
X Ray ◽  
Human Expert

AbstractAn expert system has been designed for the structural characterization of disordered phyllosilicates as well as the mixed-layer minerals and the minerals containing stacking faults or isomorphic substitutions. X-ray diffraction being the simplest tool for structural characterization, the expert system uses such data but can account for data provided by any characterization technique (infrared spectroscopy, EXAFS, etc.). The expert system aims to summarize in a unique set the different approaches of the structural characterization using diagrams or tables which have been proposed, avoiding the requirement of the knowledge of their application field and excluding calculations. It runs in an interactive way, to mimic the way a human expert would draw its conclusions.

scholarly journals Chemical and Structural Characterization of Maize Stover Fractions in Aspect of Its Possible Applications

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1527
Author(s):  
Magdalena Woźniak ◽  
Izabela Ratajczak ◽  
Dawid Wojcieszak ◽  
Agnieszka Waśkiewicz ◽  
Kinga Szentner ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Biogas Production ◽  
Structural Parameters ◽  
C:N Ratio ◽  
Crystallinity Index ◽  
Degree Of Crystallinity ◽  
Cellulose Content ◽  
X Ray Diffraction ◽  
Maize Stover

In the last decade, an increasingly common method of maize stover management is to use it for energy generation, including anaerobic digestion for biogas production. Therefore, the aim of this study was to provide a chemical and structural characterization of maize stover fractions and, based on these parameters, to evaluate the potential application of these fractions, including forbiogas production. In the study, maize stover fractions, including cobs, husks, leaves and stalks, were used. The biomass samples were characterized by infrared spectroscopy (FTIR), X-ray diffraction and analysis of elemental composition. Among all maize stover fractions, stalks showed the highest C:N ratio, degree of crystallinity and cellulose and lignin contents. The high crystallinity index of stalks (38%) is associated with their high cellulose content (44.87%). FTIR analysis showed that the spectrum of maize stalks is characterized by the highest intensity of bands at 1512 cm−1 and 1384 cm−1, which are the characteristic bands of lignin and cellulose. Obtained results indicate that the maize stover fraction has an influence on the chemical and structural parameters. Moreover, presented results indicate that stalks are characterized by the most favorable chemical parameters for biogas production.

scholarly journals Crystallographic and structural characterization of heterometallic platinum compounds Part VII. Heterohepta- and heterooctanuclear clusters

2014 ◽  
Vol 13 (1) ◽  
Author(s):  
Milan Melnik ◽  
Peter Mikuš ◽  
Clive E. Holloway
Keyword(s):  
Structural Characterization ◽  
Structural Parameters ◽  
Bond Distance ◽  
Point Of View ◽  
Platinum Compounds ◽  
Metal Atoms ◽  
Platinum Clusters ◽  
Structural Point

AbstractThis review classifies and analyzes over fifty heterohepta- and heterooctanuclear platinum clusters. There are eight types of metal combinations in heteroheptanuclear: Pt6M, Pt5M2, Pt4M3, Pt3M4, Pt2M5, PtM6, Pt3Hg2Ru2 and Pt2Os3Fe2. The seven metal atoms are in a wide variety of arrangements, with the most common being one in which the central M atom (mostly M(I)) is sandwiched by two M3 triangles. Another arrangement often found is an octahedron of M6 atoms asymmetrically capped by an M atom. The shortest Pt-M bond distances (non-transition and transition) are 2.326(1) Å (M = Ga) and 2.537(6) Å (M = Fe). The shortest Pt-Pt bond distance is 2.576(2) Å.In heterooctanuclear platinum clusters there are eight types of metal combinations: Pt6M2, Pt4M4, Pt3Ru5, Pt2M6, PtM7, Pt2W4Ni2, PtAu6Hg and PtAu5Hg2. From a structural point of view, the clusters are complex with bicapped octahedrons of eight metal atoms prevailing. The shortest Pt-M bond distances (non-transition and transition) are 2.651(3) Å (M = Hg) and 2.624(1) Å (M = Os). The shortest Pt-Pt bond distance is 2.622(1) Å. These values are somewhat longer than those in the heteroheptanuclear clusters. Several relationships between the structural parameters were found, and are discussed and compared with the smaller heterometallic platinum clusters

X-ray topographic determination of the granular structure in a graphite mosaic crystal: a three-dimensional reconstruction

2000 ◽  
Vol 33 (4) ◽  
pp. 1023-1030 ◽  
Author(s):  
M. Ohler ◽  
M. Sanchez del Rio ◽  
A. Tuffanelli ◽  
M. Gambaccini ◽  
A. Taibi ◽  
...  
Keyword(s):  
Structural Parameters ◽  
Pyrolytic Graphite ◽  
Three Dimensional ◽  
X Ray ◽  
Dimensional Reconstruction ◽  
Mosaic Crystals ◽  
Spatial Locations ◽  
Crystalline Domains

Section topographs recorded at different spatial locations and at different rocking angles of a highly oriented pyrolytic graphite (HOPG) crystal allow three-dimensional maps of the local angular-dependent scattering power to be obtained. This is performed with a direct reconstruction from the intensity distribution on such topographs. The maps allow the extraction of information on local structural parameters such as size, form and internal mosaic spread of crystalline domains. This data analysis leads to a new method for the characterization of mosaic crystals. Perspectives and limits of applicability of this method are discussed.

scholarly journals Crystallographic and structural characterization of heterometallic platinum complexes Part V. Heteropentanuclear complexes

2014 ◽  
Vol 12 (3) ◽  
pp. 283-306 ◽  
Author(s):  
Milan Melník ◽  
Peter Mikuš ◽  
Clive Holloway
Keyword(s):  
Structural Characterization ◽  
Structural Parameters ◽  
Bond Distance ◽  
Platinum Complexes ◽  
Trigonal Bipyramidal ◽  
Metal Atoms ◽  
Independent Molecules

AbstractThis review classifies and analyzes over eighty heteropentanuclear Pt complexes. There are eight types of metal combinations: Pt4M, Pt3M2, Pt2M3, PtM4, Pt3MM′, Pt2M2M′, PtM2M′2 and PtM3M′. The five metal atoms are in a wide variety of arrangements: trigonal-bipyramidal (most common), square-pyramidal, spike-triangular, butterfly, cubane, linear and one unique. Platinum bonds to a variety of triad partner metal atoms, soft, through borderline to hard. The shortest Pt-M bond distances for non-transition and transition M are 2.406(4) Å (M = Ge) and 2.30(1) Å (M = Co). The shortest Pt-Pt bond distance is 2.580(1) Å. Several relationships between the structural parameters were found and are discussed. Several complexes exist in two isomeric forms and others contain two crystallographically independent molecules. Both the isomers as well as independent molecules are examples of distortion isomerism.

Hydrothermal synthesis of polyaniline intercalated vanadium oxide xerogel hybrid nanocomposites: effective control of morphology and structural characterization

2017 ◽  
Vol 41 (9) ◽  
pp. 3634-3645 ◽  
Author(s):  
Samapti Kundu ◽  
Biswarup Satpati ◽  
Manabendra Mukherjee ◽  
Tanusree Kar ◽  
Swapan Kumar Pradhan
Keyword(s):  
Hydrothermal Synthesis ◽  
Vanadium Oxide ◽  
Structural Characterization ◽  
Hybrid Nanocomposites ◽  
Effective Control ◽  
Hrtem Image ◽  
Xrd Patterns ◽  
Image Analyses

Structural characterization of polyaniline intercalated layered vanadium-oxide xerogel nanocomposites with different morphologies revealed from XRD patterns and FESEM/HRTEM image analyses.

Single Crystal X-Ray Structural Characterization of [BiX2(S2CNEt2)]Infinity∞, X=Cl, Br

1994 ◽  
Vol 47 (2) ◽  
pp. 405 ◽  
Author(s):  
PK Bharadwaj ◽  
AM Lee ◽  
BW Skelton ◽  
BR Srinivasan ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Sulfur Atom ◽  
Structural Characterization ◽  
Structure Determination ◽  
Room Temperature ◽  
X Ray ◽  
Structure Determinations

Single-crystal room-temperature X-ray structure determinations of the title compounds have been carried out. The two compounds are isomorphous, and isomorphous with the previously determined iodide analogue, being monoclinic, P 21/c, a ≈ 10.0, b ≈ 14.9, c ≈ 7.8 Ǻ, β ≈ 92°, Z = 4 formula units; residuals were 0.037, 0.036 for 2197, 1654 'observed' reflections for X = Cl , Br respectively. As in the iodide, the complexes are infinite polymers, with successive bismuth atoms bridged by the two halides and one sulfur atom of the ligand , which also chelates each bismuth. The structure determination of C5H5NCONEt2]2 [Cl5Bi(NC5H5)], isostructural with its thiocarbamoyl analogue, is also recorded.

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