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Numerical simulations First detailed 2-D calculation of the structure of rotating detonation in cylindrical chamber were performed by Hishida et al. [4].
The model is capable to simulate detailed chemistry, but to save the computation time, usually simple single or two-step mechanisms are used.
The model is capable to simulate detailed chemistry and wi is calculated as sum of production and destruction of the i-th specie in all reactions , (4) Detailed description of the model and solution techniques can be found in [5].
Typical example of calculation of the structure of rotating detonation wave in hydrogen-air mixture, a- computational grids, b - distribution of the pressure, c - distribution of temperature, d – particles trajectory (flow field).
Since that time many numerical codes were developed to calculate detonation preparty and detonation structure.

Polyaniline Grafted Amino-functionalized Graphene Nanocomposite with Excellent Electrochemical Performance for Supercapacitor Electrode Materials Yu Liu1, a, Xinyan Su1, 2, b, Shanyi Guang3, c and Hongyao Xu1, d* 1State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai 201620, China 2Department of Polymer Materials, College of Materials Science and Engineering, Shanghai University, Shanghai 200444, China 3College of Chemistry & Chemical Engineering, Donghua University, Shanghai 201620, China aleoliu@mail.dhu.edu.cn, bxysu@shu.edu.cn, csyg@dhu.edu.cn, dhongyaoxu@163.com Keywords: Supercapacitor, Covalent functionalization, Graft, Polyaniline, Graphene.
The morphology and structure of AGNS/PANI nanocomposite were investigated by FTIR, UV-vis, FE-SEM analyses.
The p-phenylenediamine molecules covalently bond onto the basal planes of graphene nanosheets prepared by using diazonium chemistry, and AGNS/PANI nanocomposite was fabricated by in-situ polymerization of aniline in the presence of the obtained amino-functionalized graphene sheets.
Cao, Structure-based enhanced capacitance: in situ growth of highly ordered polyaniline nanorods on reduced graphene oxide patterns, Adv.
Ikkala, Comb-shaped supramolecules of emeraldine base form of polyaniline due to coordination with zinc dodecyl benzenesulfonate and their plasticized self-organized structures, Macromolecules, 33 (2000) 9272-9276

Then, X-Ray Diffraction (XRD, Bruker D8 Advance, Germany) was used to analyze the crystal structure and crystallite size.
In addition, all three samples also had Fe-O bond vibration indicating the presence of iron oxide (Fe2O3) structure [16].
[13]Correia, Leandro Marques et al, Relevance of the Physicochemical Properties of Calcined Quail Eggshell (CaO) as a Catalyst for Biodiesel Production, Journal of Chemistry. (2017)
[20]Supriyanto, Edy, The Effect of Thermal Annealing on Crystal Structure and Morphology of Titanium Dioxide Powder, Jurnal Ilmu Dasar. 15 (2015) 37-41
[25]Niju, S.; Meera Sheriffa Begum, K.M.; Anantharaman, N, Enhancement of biodiesel synthesis over highly active CaO derived from natural white bivalve clam shell, Arabian Journal of Chemistry. (2014).

Growth mechanism and characterization of rose-like microspheres and hexagonal microdisks of ZnO grown by surfactant-free solution method, Journal of Industrial and Engineering Chemistry, 14 (5) (2008) 578-583
Influence of Annealing Temperature on the Photo-Electrical and Structural Disorder Characteristics of Nano-Structured Zinc Oxide Thin Films, AIP Conference Proceedings, 1136 (1) (2009) 601-605
Effect of preheating and annealing temperatures on quality characteristics of ZnO thin film prepared by sol–gel method, Materials Chemistry and Physics, 97 (2-3) (2006) 219-225
Effect of annealing temperature and annealing atmosphere on the structure and optical properties of ZnO thin films on sapphire (0001) substrates by magnetron sputtering, Applied Surface Science, 258 (7) (2012) 2479-2485
Correlation between structure and photoluminescence of c-axis oriented nanocrystalline ZnO films and evolution of photo-generated excitons, Solar Energy Materials and Solar Cells, 96 (1) (2012) 117-123.

B element can combine with silica and alkalis to form a glassy structure and lower the melting temperature [5, 6].
Ullman’s Encyclopedia of Industrial Chemistry [M]. 1985, 263–280
In: Pye LD, Fréchette VD, Kreìc NJ(Eds.), Borate Glasses: Structure, Properties, Applications[M].
In Proceedings of the VI International Congress on the Chemistry of Cement[C].
Dunstetter, etc, Polymorphism of Tricalcium Silicate in Portland Cement: A Fast Visual Identification of Structure and Superstructure[J].

It is shown that the network structure formed by the oil based antiwaxant in crude oil and the wax crystal in 5# crude oil have a good matching property, resulting in the distortion and deformation of the wax crystal, and the space network structure formed by the wax crystal is easily destroyed after the application of a certain shear force.
Or does not form the network structure at all, thus increased the crude oil fluidity, reduces the crude oil freezing point.
[6] Jie Zhang, Zhen Guo, Weichao Du, Xuefan Gu, Manxue Wang, Zhifang Zhang, Baowei Du, Gang Chen, Preparation and performance of vegetable oils fatty acids hydroxylmethyl triamides as crude oil flow improvers, Petroleum Chemistry, 58(12): 1070-1075 (2018)
[8] Gang Chen, Weihua Yuan, Yun Bai, Wei Zhao, Jie Zhang, Ya Wu, Xuefan Gu, Shijun Chen, Hongjiang Yu, Synthesis of pour point depressant for heavy oil from waste organic glass, Petroleum Chemistry, 58(1): 85-88 (2018)

The molecules, fixed by chemisorption forces, form Langmuir structures (spirals with normally oriented axes to the surface of the part material).
Acoustic emission is the emission of mechanical waves by a material caused by a local dynamic restructuring of its structures.
Firebrother, Chemistry of Niobium and Tantalum, Chemistry, Moscow, 1972
Tsvetnikov, Features of the structure of low-dimensional fluorine-containing particles obtained by thermogasdynamic synthesis, Mechanical engineering and technosphere of the XXI century: collection of articles proceedings of the XV international scientific and technical conference, Sevastopol, 3 (2008) 284-287

Structure elucidation was performed using FTIR, MS, 1H- and 13C-NMR.
The result of 1H-NMR analysis of isoflavone 3 and 2 do not distinguish in detail because the structures have almost the same groups.
[8] Kim, Y.W., Novel 2-Substituted Isoflavones: A Privileged Structure Approach to New Agents for Hormone-Dependent Breast Cancer, Dissertation, The Ohio State University, Ohio, 2003
[19] Hornback, J.M., Organic Chemistry, Brooks/Cole Publishing Company, California, 1998
[24] Wade, L.G., Organic Chemistry, 6th Ed., Pearson Prentice Hall, New Jersey, 2006.

One of their notable features is their strong and tunable photoluminescence, which means they can emit light of different colors depending on their size and surface chemistry [7].
Fig. 2a shows the XRD pattern of CQDs, with a broad peak around 21.4 o 2θ angle which corresponds to the (002) plane of graphitic structures indicating the amorphous nature of the synthesized CQDs.
The peak observed at 1460.5 cm-1 could be due to the presence of C-H bond, particularly the aliphatic hydrocarbon and cyclic structures that could found in both methyl and methylene, while the peak, stretching vibrations at 1068.9 cm-1 are ascribed to C-O-C functional groups that may indicate the presence of alcohols, ethers, and esters in the CQDs.
Abd Elkodous et al., “Carbon dots: Discovery, structure, fluorescent properties, and applications,” Nanotechnol.
Gad et al., “Jojoba oil: An updated comprehensive review on chemistry, pharmaceutical uses, and toxicity,” Polymers (Basel)., vol. 13, no. 11, pp. 1–22, 2021, doi: 10.3390/polym13111711

Influence of Metashale as Cement Replacement on the Hygric Transport Properties of Concrete KOŇÁKOVÁ Dana1,a *, HOVORKOVÁ Veronika1,b,VEJMELKOVÁ Eva1,c, KEPPERT Martin1,d and ČERNÝ Robert1,e 1Czech Technical University in Prague, Faculty of Civil Engineering, Department of Materials Engineering and Chemistry, Thákurova 7, 166 29 Prague 6, Czech Republic adana.konakova@fsv.cvut.cz, bveronika.hovorkova@fsv.cvut.cz, ceva.vejmelkova@fsv.cvut.cz, dmartin.keppert@fsv.cvut.cz, ecernyr@fsv.cvut.cz Keywords: Concrete, composite, metashale, basic physical properties, mechanical strength, water vapour diffusion resistance factor, apparent moisture diffusivity.
Therefore there are lot of attempts to find out materials with cementitious properties and without its ecological disadvantages and replace either part or the whole cement amount in building structures with a more environmentally friendly material.
To be able to predict an amount of water which material should contain it is necessary to know pore structure as well as hygric transport characteristic.
Regarding the pore structure, it was proved, that with a growing amount of cement replacement it is possible to observe a decrease of the amount of pores with 0.1μm, while a higher mass of smaller pores with a diameter of around 0.02µm appears.
Construction and Building Materials, Volume 25, Issue 3, March 2011, Pages 1325-1331 [6] Franco Massazza: 10 - Pozzolana and Pozzolanic Cemen, Lea's Chemistry of Cement and Concrete (Fourth Edition), 2003, Pages 471-635 [7] Máca, P., Jandeková, D., Konvalinka, P.: The influence of metakaolin addition on the scaling of concrete due to frost action; Cement Wapno Beton, 19 (2014) 1-7