The interaction energy was calculated using the following equation: EInteraction = Etotal - (Esurface + Epolymer), where Etotal is the energy of the surface and polymer, Esurface is the energy of the surface without the polymer, and Epolymer is the energy of polymer without the surface. The simple way to model the interaction of the polymer with a multi-component system of a bioglass Ca5(PO4)3F-CaAl2Si2O8-Zn3(PO4)2 is classical molecular dynamics method. The properties of model materials were estimated by calculating the interface or interphase structure.
The interaction of polymer molecules with a large number of the structural units of the surface leads to the formation of the energetically most favorable conformation of the polymer molecules on the surface of the glass. Among the large number of biomaterials, the material based on the Ca5(PO4)3F-CaAl2Si2O8-Zn3(PO4)2 system is the subject of several experimental studies, although the understanding at the molecular level of the integration mechanism in bones and teeth has not been fully reached yet. The polymer adhesion of the individual components to anorthite, fluorapatite and zinc phosphate (Fig) as well as adhesion to ZnO, Al2O3, CaF2, CaO, SiO2, P2O5 were calculated.
At the same time, the analysis of the adhesion energy between the oxides and the polymer showed that the adhesion in zinc oxide (~2180 kJ/mol) is much greater than in the case of calcium oxide (~565 kJ/mol). The analysis of the interaction of polyacrylic acid ions with Ca2 +, Zn2 + and Al3 + at a molecular level is carried out by calculating the electronic structure of polyacrylic acid (n = 8), and a complex metal anion. The interaction of two molecules of polyacrylic acid with Ca2 +, Zn2 + leads to the formation of stable polymeric metal complexes with monodentate coordination of oxygen atoms of the carboxylate group.
Also, the reaction of three polyacrylic acid molecules with the Al3+ ion is thermodynamically favorable and allows a high degree of cross-linking of the interconnected polymer molecules.
СТОЛЕТИЯ – ХИМИЧЕСКАЯ ПЕРЕРАБОТКА ГАЗОВОГО СЫРЬЯ
В целях снижения возможности возникновения различных видов рисков, характерных для инновационной деятельности, а также негативных последствий их реализации в высокотехнологичных организациях необходимо создать внутрикорпоративную систему управления проектными рисками, которая должна осуществлять комплексный мониторинг рисков. ситуации. и разработать превентивные меры для снижения их воздействия на всех стадиях «жизненного цикла риска». Расчет интегральных параметров турбулентных структур нестационарных течений газа в трубах с использованием волновых преобразований // ТЕОРЕТИЧЕСКИЕ ОСНОВЫ ХИМИЧЕСКОЙ ИНЖЕНИРСТВА, 2008. Целью настоящей работы является исследование влияния соотношения масс исходного сырья и температуры прокаливания на адсорбционной способности сорбентов с целью отбора лучших образцов.
The influence of the nature of the metal and the functional substitution in the macrocycle on the electrocatalytic activity of metallocorroles in the reduction of molecular oxygen has been established. The assessment of protective properties is defined by electrochemical methods of research, and also by physico-mechanical ones that give the most complete idea of the corrosion processes that take place under a paint and varnish film. Was developed flow sheet porous PVDF synthesis and study the effect of process parameters such as the mixing speed of the components, the concentration of acid catalyst and the synthesis temperature on the structure of the porous material, as well as its operational and technological properties.
Получены значения интенсивности ионного тока для постоянного электрического тока и импульсного тока, рассчитана величина электрической емкости, необходимой для удаления 1 г соли, зависимость расхода энергии от плотности постоянного и импульсного тока. текущий. . 34; Сырьем может быть любой вид возобновляемого сырья, в том числе продовольственные культуры, непищевая биомасса, сельскохозяйственные отходы» [1].
Searching for ways to realize controllable delivery and distance release of encapsulated material can give us advice to develop some important studies, such as "address delivery of chemical compounds in dosed micro-amounts" and the creation of "smart". For Russia, the most important method of microencapsulation is microencapsulation for repellent finishing of textile. Suits with this type of protective finish will be the most effective against pests.
The specific capacitance of the capacitor with the composite as electrode has increased more than 2 - 4 times, from 130 F/g to 600 F/g, compared to the carbon sample without modification by nickel compounds. The significant contribution of the faradaic reactions to the specific capacity of the capacitor electrodes of the composites is noted. The mechanism of liquid phase oxidation of isopropyl-m-xylene in the presence of N-hydroxyphthalimide was discussed.
Solubility and virtual screening of potential activity of the ethyl ester of p-(N--D-glucopyranosid)aminobenzoic acid has been investigated. The modification of chitosan with aldehydes has been shown to increase both the strength properties of the films and their hydrophobic properties. Development of compositions based on epoxy oligomers modified with polysulfone polymerizable under UV curing.
It is found that the type and amount of impurities in lactide determine the molecular weight of the polymer.
