In this work we introduce a new semi-implicit second order correction scheme to the kinetic KohnSham lattice model. The new approach is validated by performing realistic exchange-correlation energy calculations of atoms and dimers of the first two rows of the periodic table finding good agreement with the expected values. Additionally we simulate the ethane molecule where we recover the bond le...

We construct a second-order continuum traffic model by using an iterative procedure in order to derive a constitutive relation for the traffic pressure which is similar to the Navier–Stokes equation for ordinary fluids. Our second-order traffic model represents an improvement on the traffic model suggested by Kerner and Konhäuser since the iterative procedure introduces, in the constitutive rel...

A literature review of the use of sorbents and biosorbents to treat polluted aqueous effluents containing dyes/organics or metal ions has been conducted. Over 70 systems have been reported since 1984 and over 43 of these reported the mechanism as being a pseudo-first order kinetic mechanism. Three sorption kinetic models are presented in this paper and have been used to test 11 of the literatur...

We describe the construction of finite automata on terms establishing that the model-checking problem for every monadic second-order graph property is fixed-parameter linear for tree-width and clique-width (Chapter 6 of [6]). In this approach, input graphs of small tree-width and clique-width are denoted by terms over finite signatures. These terms reflect the corresponding hierarchical decompo...

in the current investigation a novel nano hybrid adsorbent mcm-41/n-(3-trimethoxysilyl)-propyl)diethylenetriamine (mcm-41/tmspdeta) was prepared and was characterized using dls (dynamic light scattering), fourier transform infrared (ftir), x-ray diffraction (xrd), brunauer–emmett–teller (bet) analytical techniques and transmission electron microscopy (tem). the synthesized mcm-41/tmspdeta adsor...

where the matrix M ∈ RN×N is assumed to be invertible. Models of mechanical systems are often of this type since (1.1) then represents the equation of motion of the system. For such a system M = MT , C = CT and K = KT are respectively the mass, damping and stiffness matrices, f(t) ∈ RN×1 is the vector of external forces, and x(t) ∈ RN×1 is the vector of internal generalized coordinates (see [4]...