The strong affinity of carbon nanotubes (CNTs) to environmental contaminants has raised serious concern that CNTs may function as a carrier of environmental pollutants and lead to contamination in places where the environmental pollutants are not expected. However, this concern will not be realized until the contaminants are desorbed from CNTs. It is well recognized that the desorption of envir...

Numerical methods in higher dimensions using tensor factorizations I this talk I will collect recent advances in the solution of high-dimensional problems in different application areas: chemistry, biology, mathematics. The language of low-rank factorization gives a unified view on different algorithms for the solution of seemingly diverse and unconnected problems. Typical applications include ...

Nowadays NMR spectroscopy becomes a powerful tool in chemistry because of the NMR chemical shifts. Hartree–Fock theory and the Gauge-including atomic orbital (GIAO) methods are used in the calculation of 29Si NMR chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. Calculations have been performed at geo...

There are many methods for numerical solutions of integral equations. In various branches of science and engineering, chemistry and biology, and physics applications integral equation is provided by many other authors. In this paper, a simple numerical method using a fuzzy, for the numerical solution of the integral equation with the weak singular kernel is provided. Finally, by providing three...

Ozone is used in many applications in the industry as an oxidising agent for example for bleaching and sterilisation. The decomposition of ozone in aqueous solutions is complex, and is affected by many properties such as, pH, temperature and substances present in the water. Additives can either accelerate the decomposition rate of ozone or have a stabilising effect of the ozone decay. By contro...

We report novel supramolecular polyhedrons formed by three-dimensional self-assembly of multinuclear zinc(II)-12-membered tetraamine (= cyclen = 1,4,7,10-tetraazacyclododecane) complexes with potentially multidentate ligands such as cyanuric acid (CA) and trithiocyanuric acid (TCA) in aqueous solution. Two new supermolecular frameworks were isolated by self-assembly of a tris (Zn(2+)-cyclen) (Z...