Characterization by SEM, TEM and Quantum-Chemical Simulations of the Spherical Carbon with Nitrogen (SCN) Active Carbon Produced by Thermal Decomposition of Poly(vinylpyridine-divinylbenzene) Copolymer

Abstract

Amorphous Spherical Carbon with Nitrogen (SCN) active carbon has been prepared by carbonization of poly(vinylpyridine-divinylbenzene) (PVPDVB) copolymer. The PVPDVB dehydrogenation copolymer has been quantum chemically (QC) simulated using cluster and periodic models. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive X-ray (EDX) studies of the resulting product have conformed the QC computation results. Great structural similarity is found both at the nano- and micro-levels between the N-doped SCN carbon and its pure carbonic SKS analog.

Preparation of Filtration Sorptive Materials from Nanofibers, Bicofibers, and Textile Adsorbents without Binders Employment

“…In the scope of filters that are designed to capture the particles made of fibrous components, this problem is usually solved by enlarging the exposed area of the microfibrous material by folding it into the form of folders [ 5 ]. The dimensions of these microfibers, effectively capturing submicron particles of 0.4 μm or greater (F7 to H14 filters), are generally in micrometer units.…”

Quantum Chemical Simulation of Phenol-Formaldehyde Resin Carbonization in the Presence of Phosphoric Acid: Computational Evidence of Michaelis–Arbuzov-Type Reaction

“…This article reports a semiempirical quantum-chemical (QC) simulation of the carbonization of neat and H 3 PO 4 -impregnated PhF resins to reveal the elementary acts responsible for chemical bonding of P-containing groups to the backbone of AC, very analogously to the previous works on carbonization of poly(styrene-divinylbenzene) , and poly(vinylpyridine-divinylbenzene) copolymers, and following the ideas recently proposed based on ReaxFF simulation of the phenolic and polyacrylonitrile resins. In contrast with the traditional approach, where AC structure is reduced to the ensemble of graphite-like nanoparticles − (thus reducing the surface chemistry of AC to the chemistry of graphene edge), we investigated the transformations of the polymer chains, which lead to disordered postpolymeric motives.…”