Chlorine in char derived from municipal solid waste (MSW) was characterized and quantified based on its water solubility: easily water-soluble, hardly water-soluble, and non-water-soluble chlorine. For that, a four-cycle process of water-washing, heating or carbonation were carried out. In order to confirm the characteristics of non-water-soluble chlorine, additional thermal treatment and an al...

Carbides have attracted much attention owing to their interesting physical and chemical properties. Here, we systematically investigated global energetically stable structures of BeC2 in the pressure range of 0-100 GPa using a first-principles structural search. A transition from the ambient-pressure α-phase to the high-pressure β-phase was theoretically predicted. Chemical bonding analysis rev...

Scaling down materials to an atomic-layer level produces rich physical and chemical properties as exemplified in various two-dimensional (2D) crystals including graphene, transition metal dichalcogenides, and black phosphorus. This is caused by the dramatic modification of electronic band structures. In such reduced dimensions, the electron correlation effects are also expected to be significan...

in this paper, the effect of autofrettage process parameters on the ultimate pressure that functionally graded spherical vessel can tolerate are investigated. fgm properties and autofrettage pressure are considered as important parameters. assumptions are variation of properties of fgm in radial direction, the residual stress in the absence of bauschinger effect with the operation of variable m...

purpose: to evaluate the effect of fullerene on chemical properties of naphazoline drug in   water by density functional theory (dft) methods.   materials and methods: naphazoline belongs to the imidazoline class of sympathomimetics.   the present study on naphazoline drug and its fullerene connected form were carried out using   computerized calculations of gaussian program in b3lyp/6-31g leve...

the electronic structure, energy band structure and electronic density of 2 sno ceramic in cubicphase have been investigated using first principle full potential-linearized augmented plane wave (fp-lapw)method within density functional theory (dft). local density approximation (lda) and the generalizedgradient approximation (gga), which are based on exchange- correlation energy optimization wer...

Different crystal phase with a same chemical structure, polymorphous, is a specific physical characteristic which determine the end usage of pigments especially in high performance ones. Diketopyrrolopyrrole DPP derivatives, as one of the innovative in heterocyclic pigments, follow this pattern. Synthesis of pigment red 254 in selected crystal phase using ionic liquids was achieved without any ...

In this paper, properties of reflection phase in one-dimensional quaternary photonic crystals combining dispersive meta-materials and positive index materials are investigated by transfer matrix method. Two omnidirectional band gaps are located in the band structure of considered structure. However, we limit our studies to the frequency range of the second wide band gap. We observe that the val...

Acyclic phase-type distributions form a versatile model, serving as approximations to many probability distributions in various circumstances. They exhibit special properties and characteristics that usually make their applications attractive. Compared to acyclic continuous phase-type (ACPH) distributions, acyclic discrete phase-type (ADPH) distributions and their subclasses (ADPH family) have ...