Search results

Molecular Simulation of Solution Process of Organic Molecules in Polyethylene Membranes Qingzhi Liu1,a, Dengfeng Yang1,b, Yajuan Yue2,c, Zhenbo Geng2,d and Yangdong Hu2,e 1Chemistry and Pharmacy Science College, Qingdao Agricultural University ,Qingdao, Shandong, China, 266109； 2College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao, 266100, Shandong, China a Liuqz2001@163.com, b dfyang@qau.edu.cn, c angel__yue@126.com, dgzbo2008@126.com, e ydhuhd@ouc.edu.cn Keywords: solution coefficient, polyethylene membrane, molecular simulation Abstract: The dissolution process of benzene, toluene and ethylbenzene in amorphous polyethylene (PE) membrane was studied in this paper, and the solubility coefficients of the above organic molecules were analyzed and calculated by molecular dynamics simulation.
The solubility of organic molecules in polymer is mainly influenced by the properties and structure of solute, membrane and their interaction[3,4].
After the construction of lattice, "Forcite" module in MS(Material Studio) software was used to calculate total energy of each constructed 10 kinds of lattice configurations one by one, then the configuration with lowest energy as optimal configuration for energy minimization was selected to obtain relatively stable lattice structure.
Three curves are all unimodal form, and the most probable distribution of energy are13.55kcal/mol, 15.25kcal/mol and 16.85 kcal/mol respectively and are close to each other which may be attributed to the similar structures of the absorbates. 3.1.3 The distribution of density fields In figure 3, (a), (b), (c) represented the distribution of density fields that three kinds of organic molecules (benzene, toluene and ethyl benzene) dissolved in the polymer separately.

The analysis of existing titanium-containing enamels and their properties has showed that the influence of the presence and ratio of particular metal oxides on the glass structure and the formation of titanium-containing crystalline phases during additional thermal treatment has not been studied enough [2].
Table 1 The composition of the covering enamel coatings Brand of enamel Component Content, % (by weight) SiО2 B2O3 P2O5 TiO2 Al2O3 MgO Na2О K2O F ESP-117 42-45 12-16 1-4 15-18 3-8 1-3 11-15 2-4 1.0-3.5 Table 2 Synthesized experimental compounds enamel with a variation of different oxides Compositions, № The description of structures with a variation of oxides 1-4 Variation B2O3 in the range 14,0-16,0% 5 Replacing the heavy metal oxide to another oxide of the same metal 6 The exception of the oxide 3-d element from the composition of the charge 7-9 The variation of concentration of heavy metal oxide 10 Increased amount of MgO up to 3% 11 Reduced the number of TiO2 up to 9-10% 12 Increased amount of oxide, contributing to crystallization up to 17-18% On the basis of the analysis of data, shown in the table 2, it is revealed that anatase is crystallized with rutile.
Released anatase due to the action of alkaline oxides rapidly turns into rutile, the reason of it is the defective structure of partial silicon-oxygen lattice.
Tishkov, The influence T102 and B203 on the formation and properties of white single-layer glass-enamel coatings, High-temperature chemistry of silicates and oxides : report, YII International conference. (1998) 78

The presence of these bands in samples subjected to different ageing times, indicate that hydroxyapatite structure is formed from the beginning of ageing process.
A long period of ageing and the appropriate heat treatment, make the bonds PO4 better defined in the structure of hydroxyapatite.
Structure and Chemistry of the apatites and other calcium orthophosphates.

The Evaluation of the Cavitational Damage in MgAl2Si Alloy Using Various Laboratory Stands Robert JASIONOWSKI1,a*, Dariusz ZASADA2,b and Wojciech POLKOWSKI2,c 1 Maritime University of Szczecin, Mechanical Faculty, Institute of Basic Technical Sciences, 51-53 Podgórna Street, 70-205 Szczecin, Poland 2 Military University of Technology, Faculty of Advanced Technology and Chemistry, 2 Kaliskiego Street, 00-908 Warsaw, Poland a r.jasionowski@am.szczecin.pl, b dzasada@wat.edu.pl, c wojciech.polkowski@wat.edu.pl Keywords: cavitation, cavitation wear, magnesium alloy, EBSD analysis Abstract.
Results and discussion The investigated material in its initial state is characterized by dual phase structure composed of α solid solution and the eutectic mixture of the α and precipitates of Mg2Si intermetallic phase with a “chinese letters” type morphology (α + Mg2Si) (Fig. 4).
The investigated material in its initial state was characterized by a coarsegrained structure (the matrix's grain size was in the range of 100 to 500 microns) (Fig. 6).
SEM microphotographs showing surface changes in the MgAl2Si alloy upon cavitational tests on the vibration stand, a) effects of plastic deformation; b) surface cracks; c-d) a cavitational damage of the surface The destruction mechanism of MgAl2Si alloy tested on the jet impact stand is strongly affected by the material’s structure.

Moreover, the etching chemistry and processes depend on the polymer compositions.
Many other engineered polymers do not have the same chemical structure as ABS, and therefore are difficult or impossible to be chemically etched to create the interlocking sites required for adhesion.
Laser machining employs a pulsed laser to remove materials from a substrate, so that micro or nano structures can be produced on the surface.
Laser machining generated micro structure on PA6 and thus changed the wetting behavior of water.

One can get complementary information by considering the crystal structure of B4C (Fig.4).
Schematic crystallographic structure of B4C showing the hexagonal unit cell.
This should favor the nucleation of the (0001) plane since it requires the highest density of B atoms within the B4C crystal structure.
Schwetz, Journal of Solid State Chemistry 177 (2004) 575–579 [2] A.A.

Introduction One of the major world tendencies in the development of engineering industry is technological development and creation of high-tech materials that able to have the necessary physical, mechanical and chemical properties and, as a rule, having a certain structure.
As a result of the machining process of the porous metal-ceramic materials, the structure of the porous ceramic-metal and the character of the tightening pores are respectively shown in fig (1) and fig (2).
Structure of bronze-graphite (х50). 1 –crater pores; 2 – overlap after the mechanical working.
Interuniversity collection of scientific papers “ Physic, chemistry and mechanic tribosystem” Ivanovo state university.

In addition, the combination of Fe2O3 and SiO2 or CaO is obstructed by the recrystallization between MgO and Fe2O3, which can avoid generating low strength minerals such as fayalite or kirschsteinite and contribute to generate stable structures.
Thus, the crystal structures in pellets become looser due to the resolving and desorption of constituent water in minerals during roasting process, which can accelerates the pellets’ oxidation.
Comparing with common pellets, during the process of roasting, the boron-bearing pellets form a stable solid solution of “MgO•Fe2O3” which can restrain crystalline structure changeing greatly and inhibit volume expansion.
[2] Xuejia ZHENG: Paigeite Processing, by Chemistry Technology Press (2009)

The main element of such strategy is scaffold – specialized cell carrier material capable due to its structure to absorb cells with subsequent development into a functional tissue [1].
This behavior is caused by the fibrous porous structure of scaffolds.
In this regard, in the PLA scaffolds degradation ion exchange process may lead to phosphorus and calcium adsorption in the surface and bulk of the material due to its porous fibrous structure.
[6] Tietz textbook of clinical chemistry. 3rd ed.

Both Fig1.a and Fig1.b showed the diffraction peaks of the two samples appearing at 15.1°, 17.1°, 18.2° and 22.8°, which presented the crystalline structure of unmodified starch and starch nanocrystal.
This was further proof that acid treatment allows revealing the concentric lamellar structure of starch granules by dissolving regions of low lateral order.
The natural latex formed network structure with starch nanocrystals, accordingly increasing the crosslinking density of the film.
References [1] Márcia Maria Rippel, C.A.P.L., Fernando Galembeck: Analytical chemistry Vol. 74 ( 2002), p. 2541 [2] MEI-HUA ZHOU, T.H., IL-GON KIM, CHANG-SIK HA, WON-JEI CHO: Journal of Applied Polymer Science Vol. 79 (2001), p. 2464 [3] Zhi-Fen Wang, Zheng Peng,Si-Dong Li, Hua Lin, Ke-Xi Zhang,Xiao-Dong She,Xin Fua: Composites Science and Technology Vol. 69(2009), p. 1797 [4] Lili Ren,Man Jiang,Liyan Wang,Jiang Zhou,Jin Tong: Carbohydrate Polymers Vol. 87 (2012), p. 1874 [5] Z.F.