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Online since: September 2020
Authors: Ian M. Hill, Aleksey V. Ignatov, Lyudmyla I. Ardanova, Serhii V. Radio, Evgeni I. Get'man
The aim of the paper is to define the limits of substitution and phase stability for solid solutions of orthovanadates with zircon structure Sc1–xLnxVO4, where Ln is a rare-earth element (REE), Ln = Ce – Lu.
At present, luminescent, laser and other materials based on solid solutions of scandium orthovanadates Sc1–xLnxVO4 with the zircon crystal structure are ones of the most promising.
In the future, we are planning to refine the crystal structure of Sc1–xLnxVO4 solid solutions by the Rietveld method, study the luminescent properties and establish the interdependence between “composition – synthesis conditions – structure – luminescent properties”.
Composition, synthesis, structure, properties], Moscow, Nauka, 1988 (in Russian)
Fakty i zavisimosti [Structural chemistry.
At present, luminescent, laser and other materials based on solid solutions of scandium orthovanadates Sc1–xLnxVO4 with the zircon crystal structure are ones of the most promising.
In the future, we are planning to refine the crystal structure of Sc1–xLnxVO4 solid solutions by the Rietveld method, study the luminescent properties and establish the interdependence between “composition – synthesis conditions – structure – luminescent properties”.
Composition, synthesis, structure, properties], Moscow, Nauka, 1988 (in Russian)
Fakty i zavisimosti [Structural chemistry.
Online since: June 2013
Authors: Tian Xiao, Hong Yu Li
Polythiophene-coated polystyrene core-shell nanoparticles with a rod-shaped polythiophene shell
Hongyu Li1, a, Tian Xiao2
1Institute of Chemistry, Handan College, Handan, 056005, China;
2 State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, PO Box 98, Beijing 100029, China
Keywords: Polythiophene, Nanorods, Organic conducting polymer, Polystyrene
Abstract: A core-shell nanocomposite particle with polystyrene sphere core and polythiophene overlayer shell was synthesized through thiophene chemical oxidative polymerization using uniquely structured polystyrene latexes template.
These coated composite particles have a triply structure: PSt-core, a PSt-PTh shell and a thin PTh layer over the shell (see Figs. 2b and 2c).
Higher enlargement image of the particles of nanorods-coated PSt templates with clearly triplex structure: core, shell and nanorods.
However, polyaniline nanostructures also can be produced by adding specific structure-directing materials to the polymerization bath.
Conclusions PTh-coated polystyrene composite particles with a rod-shaped nanostructure overlayer have been prepared using uniquely structured polystyrene latexes with a porous core-shell structure.
These coated composite particles have a triply structure: PSt-core, a PSt-PTh shell and a thin PTh layer over the shell (see Figs. 2b and 2c).
Higher enlargement image of the particles of nanorods-coated PSt templates with clearly triplex structure: core, shell and nanorods.
However, polyaniline nanostructures also can be produced by adding specific structure-directing materials to the polymerization bath.
Conclusions PTh-coated polystyrene composite particles with a rod-shaped nanostructure overlayer have been prepared using uniquely structured polystyrene latexes with a porous core-shell structure.
Online since: June 2019
Authors: Elyor Berdimurodov, Abduvali Kholikov, Khamdam Akbarov
Computational simulation of the molecular structure of some triazoles as inhibitors for the corrosion of metal surface.
Kholikov, Physico-chemical investigation of mechanism of inhibition of steel corrosion by thioglycoluril, Universum: Chemistry and Biology, electronic scientific journal, (2018). № 3(45).
Corrosion inhibitors—Correlation between electronic structure and efficiency.
Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds.
Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties.
Kholikov, Physico-chemical investigation of mechanism of inhibition of steel corrosion by thioglycoluril, Universum: Chemistry and Biology, electronic scientific journal, (2018). № 3(45).
Corrosion inhibitors—Correlation between electronic structure and efficiency.
Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds.
Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties.
Online since: June 2020
Authors: Melkamu Biyana Regasa, Praveen C. Ramamarthy, Saravanan Kumaran, Olu Emmanuel Femi, Tesfaye Refera Soreta
The conductivities of CPs can be altered by modifying the electronic structures through doping or de-doping processes [9, 10].
A fibrous, homogenous morphology with an open structure was found for the imprinted PANI-OA due the presence of the template.
The hydrogen bonds between the polymer and template were weakened and destroyed by the acetic acid while DMSO facilitates the solubility of the target so the spatial structure of template was broken down in ABS.
Shin, Semiconducting Nanostructures and Nanocomposites for the Recognition of Toxic Chemicals (A Review), Oriental Journal of Chemistry. 29(3)(2013)837-860
Díaz-García, Molecularly imprinted polymers and optical sensing applications, Critical Reviews in Analytical Chemistry. 30(4) (2000) 291-309
A fibrous, homogenous morphology with an open structure was found for the imprinted PANI-OA due the presence of the template.
The hydrogen bonds between the polymer and template were weakened and destroyed by the acetic acid while DMSO facilitates the solubility of the target so the spatial structure of template was broken down in ABS.
Shin, Semiconducting Nanostructures and Nanocomposites for the Recognition of Toxic Chemicals (A Review), Oriental Journal of Chemistry. 29(3)(2013)837-860
Díaz-García, Molecularly imprinted polymers and optical sensing applications, Critical Reviews in Analytical Chemistry. 30(4) (2000) 291-309
Online since: June 2011
Authors: Ning Hui Wang, Shun Hua Zhi, Lin Hong Cao
Mg(OH)2 with different morphological structures of tube-, stripe-, needle-, fibre-, lamellar-, rod-, and flower-like nanocrystals have been obtained via different synthesis methods.
The phase and crystallographic structures of the samples were examined by X-ray diffraction (XRD) on a D/max - RB (Rigaku, Japan) diffract meter working with CuKα radiation and Ni filter (λ=1.5406 Å) at a scan rate of 8°/min.
But the existence of edges common to coordination polyhedra decreases the stability of ionic structures.
When the temperature elevated, the basic units have enough energy to surmount the energy barrier of this [Mg(OH)6]4+ arrangement, and form a stable structure.
Chen: Inorganic Chemistry Communications 6 (2003), p. 229 [9] C.H.
The phase and crystallographic structures of the samples were examined by X-ray diffraction (XRD) on a D/max - RB (Rigaku, Japan) diffract meter working with CuKα radiation and Ni filter (λ=1.5406 Å) at a scan rate of 8°/min.
But the existence of edges common to coordination polyhedra decreases the stability of ionic structures.
When the temperature elevated, the basic units have enough energy to surmount the energy barrier of this [Mg(OH)6]4+ arrangement, and form a stable structure.
Chen: Inorganic Chemistry Communications 6 (2003), p. 229 [9] C.H.
Online since: July 2012
Authors: S. Arungalai Vendan, R. Tamil Selvan, T. Kartikeyan
The rationale following this study was to confirm the various possibilities of making complex internal structures in a micro hole by micro ECM.
It is demonstrated that the choice of the electrolyte chemistry is substantial for a successful ECMM processing.
Liu Yong, Zhu Di et al [4] provided details on ECMM technology for fabricating micro structures.
Experimental Setup Construction and Working Details The Electrochemical Micro Machining (EMM) setup comprises of a Mechanical structure, AC- Power source, pulsed DC 5-30V, 5A generator, Electrolyte circulating circuit and tool movement control unit.
References [1] Se Hyun Ahna, Shi Hyoung Ryua, Deok Ki Choi b, Chong Nam Chua (2004), “Electro-chemical micro drilling using ultra short pulses”, Precision Engineering, Vol 28, pp 129–134 [2] Chan Hee Jo , Bo Hyun Kim , Chong Nam Chu (2009), “Micro electrochemical machining for complex internal micro features”, CIRP Annals - Manufacturing Technology, Vol 58,pp 181–184 [3] Jakub Adam Koza, Ralph Sueptitz, Margitta Uhlemann, Ludwig Schultz, Annett Gebert (2011), “Electrochemical micromachining of a Zr-based bulk metallic glass using a micro-tool electrode technique”, Intermetallics , Vol 19 , pp 437-444 [4] Liu Yong, Zhu Di*, Zeng Yongbin, Huang Shaofu, Yu Hongbing (2010), “Experimental Investigation on Complex Structures Machining by Electrochemical Micromachining Technology”, Chinese Journal of Aeronautics Vol 23, pp 578-584 [5] L.
It is demonstrated that the choice of the electrolyte chemistry is substantial for a successful ECMM processing.
Liu Yong, Zhu Di et al [4] provided details on ECMM technology for fabricating micro structures.
Experimental Setup Construction and Working Details The Electrochemical Micro Machining (EMM) setup comprises of a Mechanical structure, AC- Power source, pulsed DC 5-30V, 5A generator, Electrolyte circulating circuit and tool movement control unit.
References [1] Se Hyun Ahna, Shi Hyoung Ryua, Deok Ki Choi b, Chong Nam Chua (2004), “Electro-chemical micro drilling using ultra short pulses”, Precision Engineering, Vol 28, pp 129–134 [2] Chan Hee Jo , Bo Hyun Kim , Chong Nam Chu (2009), “Micro electrochemical machining for complex internal micro features”, CIRP Annals - Manufacturing Technology, Vol 58,pp 181–184 [3] Jakub Adam Koza, Ralph Sueptitz, Margitta Uhlemann, Ludwig Schultz, Annett Gebert (2011), “Electrochemical micromachining of a Zr-based bulk metallic glass using a micro-tool electrode technique”, Intermetallics , Vol 19 , pp 437-444 [4] Liu Yong, Zhu Di*, Zeng Yongbin, Huang Shaofu, Yu Hongbing (2010), “Experimental Investigation on Complex Structures Machining by Electrochemical Micromachining Technology”, Chinese Journal of Aeronautics Vol 23, pp 578-584 [5] L.
Online since: June 2010
Authors: Bao Jun Han
The EBSD Investigation on Microstructure Evolution in Fe-32%Ni Alloy
During Multi-axial Forging
Baojun Han
School of Chemistry and Life Science, GanNan Normal University, Ganzhou 341000, P.R.China
hanbaojun80@tom.com
Keywords: Grain refinement, Electron backscattered diffraction (EBSD), Fe-32%Ni alloy
Abstract.
The disadvantages of TEM are that only small areas of a sample can be studied and complete characterization of dislocation cell and subgrain structure is very time-consuming because that reliable and automated analysis of Kikuchi diffraction is not yet available now [8].
Large amounts of grains orientation transition zone indicated by the color transition could be found in these banded structures.
The understanding of the formation of ultra-fine grain structure is of practical importance for controlling the properties of processed metals.
In the present investigation, it is concluded that the fine grained structures are formed by continuous process, i.e. grain subdivision or grain fragmentation, and the multi-axial forging deformation promotes the development of deformation bands in various direction followed by their frequent intersection in grain interiors because of changing of deformation axis from pass to pass.
The disadvantages of TEM are that only small areas of a sample can be studied and complete characterization of dislocation cell and subgrain structure is very time-consuming because that reliable and automated analysis of Kikuchi diffraction is not yet available now [8].
Large amounts of grains orientation transition zone indicated by the color transition could be found in these banded structures.
The understanding of the formation of ultra-fine grain structure is of practical importance for controlling the properties of processed metals.
In the present investigation, it is concluded that the fine grained structures are formed by continuous process, i.e. grain subdivision or grain fragmentation, and the multi-axial forging deformation promotes the development of deformation bands in various direction followed by their frequent intersection in grain interiors because of changing of deformation axis from pass to pass.
Online since: July 2014
Authors: Chao Chen, Li Li Ying, Song Sheng Zheng, Jiang Hui Zheng, Li Han Cai
The crystal structure as well as the phase purity of samples was identified by recording X-ray diffraction (XRD) patterns using Rigaku Ultima IV diffractometer with Cu Kα radiation (λ = 0.154 nm) operating at 35kV and 15 mA.
(a) shows the XRD pattern of the Sr1.78B2O5:0.11Eu3+, 0.11Na+ sample and the Inorganic Crystal Structure Database (ICSD) standard pattern.
It can predict that the doped Eu3+ and Na+ didn’t cause any significant change in host structure and had been efficiently incorporated into the host lattice.
According to the ISCD, the crystal structure of Sr2B2O5 phase belongs to the monoclinic space group P21/c with cell parameters a=11.850, b=5.350, c=7.710, V=488.79 Å3.
Chen, Journal of Materials Chemistry, 21 (2011) 6869
(a) shows the XRD pattern of the Sr1.78B2O5:0.11Eu3+, 0.11Na+ sample and the Inorganic Crystal Structure Database (ICSD) standard pattern.
It can predict that the doped Eu3+ and Na+ didn’t cause any significant change in host structure and had been efficiently incorporated into the host lattice.
According to the ISCD, the crystal structure of Sr2B2O5 phase belongs to the monoclinic space group P21/c with cell parameters a=11.850, b=5.350, c=7.710, V=488.79 Å3.
Chen, Journal of Materials Chemistry, 21 (2011) 6869
Online since: April 2015
Authors: Miao Miao Li, Hui Hu, Bao Shan Wang
Computational Study of the Decomposition of Cyclotetramethylenetetranitramine under Impact, Friction, and Electric Fields
Hui Hu1, a*, Miaomiao Li2 and Baoshan Wang1
1College of Chemistry and Molecular Sciences, Wuhan University, Wuhan, People's Republic of China
2Shanghai Aerospace Institute of Applied Chemical Engineering, Huzhou, People's Republic of China
ah_hu@whu.edu.cn
Keywords: First-principles, HMX, sensitivity, impact, friction, electric field
Abstract: Organic CHNO-containing high energy density materials have been widely used for storing large amounts of the chemical energies which can be rapidly transformed into heat upon various external perturbations during detonation.
It exhibits a monoclinic structure with the P21/c symmetry and two HMX molecules per unitcell (6.7 × 11.4 × 8.9 Å3).
Fig. 1 Structures of (a) model HMX (010) surface and (b) model HMX (100) surface.
Fig. 2 Minimum energy paths for N−NO2 homolysis and the atomic structure of HMX molecule.
More interestingly, the packing structure of the β-HMX molecules starts to be alternated considerably as the electric fields increase.
It exhibits a monoclinic structure with the P21/c symmetry and two HMX molecules per unitcell (6.7 × 11.4 × 8.9 Å3).
Fig. 1 Structures of (a) model HMX (010) surface and (b) model HMX (100) surface.
Fig. 2 Minimum energy paths for N−NO2 homolysis and the atomic structure of HMX molecule.
More interestingly, the packing structure of the β-HMX molecules starts to be alternated considerably as the electric fields increase.
Online since: March 2015
Authors: Quan Hong Ma, Mei Yan Qu, Xue Song Xu, Le Le Hu
Influenceoflayered materialson properties ofcement stabilized macadam
QUANHONG MA1, a, MEIYAN QU1, b, XUESONG XU2, cand LELE HU2, d
1School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China
2Nanjing Road and Bridge Engineering Company, Nanjing, China
amqh@seu.edu.cn, bqmytt@126.com, cxxs721227@163.com, dnjlqhll@139.com
Keywords:Layered materials; Cementstabilized macadam base; Palygorskite; Montmorillonite;Kaolin; Crack resistance;Strengthproperties
AbstractTo reduce shrinkage cracks of cement stabilized macadam base and prolong the life span of pavement, layered materials were mixed in cement stabilized macadam to improve its strength properties and crack resistance.In comparison with the blank test, the unconfined compressive strength increases with the addition of layered materials (weighed at 10% of the amount of cement), by 11.6% with palygorskite, 12.7% with kaolin and 8.9% with montmorillonite, respecetively, at the curing age of 28 days; dry-shrinkage
These cracks destroy the integrity and continuity of pavement structures severely and negatively affect the overall quality and life span of the highway.
Experimental results and discussion Influence of layered materials on strength properties Cement stabilized macadam base is the main supporting layer of the pavement structure.
Table4Influence of layered materials on rigidity properties Layered materials Content of layered materirals [%] Compressiveresilient modulus [MPa] Splitting resilient modulus [MPa] Blank 0 1821 1215 P 10 1862 1040 K 10 1796 1197 M 10 1849 1009 The larger resilient modulus of the base leads to an overall greater stiffness of the pavement structure.
Furthermore,with the addition of palygorskite, a net-like structure is formed in cement pastes,leading to the maximum decrease in shrinkage cracks of cementstabilized macadam mixed with palygorskite.
These cracks destroy the integrity and continuity of pavement structures severely and negatively affect the overall quality and life span of the highway.
Experimental results and discussion Influence of layered materials on strength properties Cement stabilized macadam base is the main supporting layer of the pavement structure.
Table4Influence of layered materials on rigidity properties Layered materials Content of layered materirals [%] Compressiveresilient modulus [MPa] Splitting resilient modulus [MPa] Blank 0 1821 1215 P 10 1862 1040 K 10 1796 1197 M 10 1849 1009 The larger resilient modulus of the base leads to an overall greater stiffness of the pavement structure.
Furthermore,with the addition of palygorskite, a net-like structure is formed in cement pastes,leading to the maximum decrease in shrinkage cracks of cementstabilized macadam mixed with palygorskite.