Ab Initio Simulation of the IR Spectrum of Hydrated Kaolinite

The hydration of the basal surfaces of kaolinite is studied by theoretical methods. The cluster method was used to simulate the positions of atoms. The positions of the atoms of the basal surfaces of dry and hydrated minerals are optimized by minimizing the total energy in the Hartree–Fock approximation. The adsorption energies of water molecules were calculated taking into account the fourth-order correlation corrections of Møller–Plesset perturbation theory. The formation of the IR spectrum of kaolinite in the range of wave numbers 2500–4500 cm−1 is studied. The experimentally observed effect of the change in relative intensity and position of the band with a change in the moisture content of the sample is interpreted

Mechanical behavior of ballasted railway track stabilized with polyurethane: A finite element analysis

Analysis of mechanical behavior of ballast shoulder of railway track reinforced by polyurethane binding agent has been performed by the method of finite-element simulation Limitation of the model of linear-elastic properties of geocomposite has been displayed. Dependence of elasticity modulus of geocomposite on deformation value has been suggested. Influence of penetration depth of polyurethane binding agent on behavior of railway track construction under different train loads has been studied

Mechanical behavior of ballasted railway track stabilized with polyurethane: A finite element analysis

Analysis of mechanical behavior of ballast shoulder of railway track reinforced by polyurethane binding agent has been performed by the method of finite-element simulation Limitation of the model of linear-elastic properties of geocomposite has been displayed. Dependence of elasticity modulus of geocomposite on deformation value has been suggested. Influence of penetration depth of polyurethane binding agent on behavior of railway track construction under different train loads has been studied