Physicochemical and Adsorption Characterization of Char Derived from Resorcinol-Formaldehyde Resin Modified with Metal Oxide/Silica Nanocomposites.

A series of metal- and silica-containing carbon-based nanocomposites were synthesized by pyrolysis of a resorcinol-formaldehyde polymer modified with metal oxide/silica nanocomposites (MxOy/SiO, where M = Mg, Mn, Ni, Cu and Zn) via the thermal oxidative destruction of metal acetates adsorbed on highly dispersed silica (A380). The concentration of metals was 3.0 mmol/g SiO.

Nanostructure and thermal characteristics of silica/human serum albumin systems based on a modified nanosilica entero-vulnerosorbent.

Entero-vulnerosorbents based on geometrically modified (GM) (mechanical treatment at different times, = 1, 4, and 7 h) fumed nanosilica A300 (NS) and protein molecules (human serum albumin/GM-nanosilica systems) were characterized with a focus on their surface, morphology, topography, and thermal properties. Microscopic, spectroscopic, and analytical techniques, including atomic force microscopy (AFM), optical profilometry (OP), high-resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), and elemental analysis (CHN), were used. The differentiation in the surface morphology, micro-nanoroughness, surface chemistry, thermal properties of the silica support, and protein/nanosilica systems were found.

Physicochemical, structural, and adsorption characteristics of DMSPS--DVB nanopolymers.

The aim of this work is the synthesis and characterization of the series of S,S'-thiodi-4,1-phenylene bis(thio-methacrylate)--divinylbenzene (DMSPS--DVB) nanomaterials. The series of new nanopolymers including three mixed systems with different ratios of DMSPS and DVB components, DMSPS--DVB = 1:1, DMSPS--DVB = 1:2, and DMSPS--DVB = 1:3, was synthesized in the polymerization reaction. The research task is to investigate the influence of the reaction mixture composition on morphological, textural, and structural properties of final nanosystems including size, shape, and agglomeration effect.

Conformational degrees of freedom and stability of splay-bend ordering in the limit of a very strong planar anchoring.

We study the self-organization in a monolayer (a two-dimensional system) of flexible planar trimer particles. The molecules are made up of two mesogenic units linked by a spacer, all of which are modeled as hard needles of the same length. Each molecule can dynamically adopt two conformational states: an achiral bent-shaped (cis-) and a chiral zigzag (trans-) one.

Interaction of Bis-(sodium-sulfopropyl)-Disulfide and Polyethylene Glycol on the Copper Electrodeposited Layer by Time-of-Flight Secondary-Ion Mass Spectrometry.

The interactions of the functional additives SPS (bis-(sodium-sulfopropyl)-disulfide) and polyethylene glycol (PEG) in the presence of chloride ions were studied by time-of-flight secondary-ion mass spectrometry (TOF-SIMS) in combination with cyclic voltammetry measurements (CV). The PEG, thiolate, and chloride surface coverages were estimated and discussed in terms of their electrochemical suppressing/accelerating abilities. The conformational influence of both the gauche/trans thiolate molecules, as well as around C-C and C-O of PEG, on the electrochemical properties were discussed.

Mesocellular Silica Foams (MCFs) with Tunable Pore Size as a Support for Lysozyme Immobilization: Adsorption Equilibrium and Kinetics, Biocomposite Properties.

The effect of the porous structure of mesocellular silica foams (MCFs) on the lysozyme (LYS) adsorption capacity, as well as the rate, was studied to design the effective sorbent for potential applications as the carriers of biomolecules. The structural (N adsorption/desorption isotherms), textural (SEM, TEM), acid-base (potentiometric titration), adsorption properties, and thermal characteristics of the obtained lysozyme/silica composites were studied. The protein adsorption equilibrium and kinetics showed significant dependence on silica pore size.

Are hydrogen supramolecular structures being suppressed upon nanoscale confinement? The case of monohydroxy alcohols.

In this paper, the molecular dynamics, H-bonding pattern and wettability of the primary and secondary monohydroxyalcohols, 2-ethyl-1-hexanol (2E1H), 2-ethyl-1-butanol (2E1B) and 5-methyl-3-heptanol (5M3H) infiltrated into native and functionalized silica and alumina pores having pore diameters, d = 4 nm and d = 10 nm, have been studied with the use of Broadband Dielectric (BDS) and Fourier Transform InfraRed (FTIR) spectroscopies, as well as contact angle measurements. We found significant differences in the behavior of alcohols forming chain- (2E1H, 2E1B) or micelle-like (5M3H) supramolecular structures despite of their similarities in the wettability and interfacial energy. It turned out that nanoassociates as well as H-bonds are more or less affected by the confinement dependently on the chemical structure and alcohol order.

Mesoporous silica/protein biocomposites: Surface, topography, thermal properties.

The biocomposite systems based on mesoporous MCF silica support and protein molecules are characterized with regard to their surface, topographic, thermal properties. Mesoporous silica materials (MCF) covered by the adsorbed protein molecules (BSA and OVA) were examined and characterized by using various techniques including X-ray diffraction, the Fourier transform infrared spectroscopy with attenuated total reflectance, X-ray photoelectron spectroscopy and scanning electron microscopy with microanalysis. The results of study focused on a detailed analysis of microstructure (topography, texture), and chemistry (chemical bonds, functional groups, elemental composition) of protein/mesoporous silica biocomposite.

Mean-field model of boomerang nematic liquid crystals with diminished coupling of molecular uniaxial and biaxial susceptibilities.

The mean-field theory approach has been applied to the boomerang type particles from P. I. C.

Nematic twist-bend phase in an external field.

The response of the nematic twist-bend ([Formula: see text]) phase to an applied field can provide important insight into the structure of this liquid and may bring us closer to understanding mechanisms generating mirror symmetry breaking in a fluid of achiral molecules. Here we investigate theoretically how an external uniform field can affect structural properties and the stability of [Formula: see text] Assuming that the driving force responsible for the formation of this phase is packing entropy, we show, within Landau-de Gennes theory, that [Formula: see text] can undergo a rich sequence of structural changes with the field. For the systems with positive anisotropy of permittivity, we first observe a decrease of the tilt angle of [Formula: see text] until it transforms through a field-induced phase transition to the ordinary prolate uniaxial nematic phase (N).

Kinetic-contact-driven gigantic energy transfer in a two-dimensional Lennard-Jones fluid confined to a rotating pore.

A two-dimensional Lennard-Jones system in a circular and rotating container has been studied by means of molecular dynamics technique. A nonequilibrium transition to the rotating stage has been detected in a delayed time since an instant switching of the frame rotation. This transition is attributed to the increase of the density at the wall because of the centrifugal force.

Computational aspects of the smectization process in liquid crystals: An example study of a perfectly aligned two-dimensional hard-boomerang system.

A replica method for calculation of smectic liquid crystal properties within the Onsager theory has been presented and applied to an exemplary case of two-dimensional perfectly aligned needlelike boomerangs. The method allows one to consider the complete influence of the interaction terms in contrast to the Fourier expansion method which uses mostly first or second order terms of expansion. The program based on the replica algorithm is able to calculate a single representative layer as an equivalent set of layers, depending on the size of the considered width of the sample integration interval.

Comment on the diffusion properties presented in "Temporal and structural characteristics of a two-dimensional gas of hard needles".

The intensive properties of two-dimensional anisotropic systems like the average number of collisions, pressure or diffusivities, are, despite the fact that the thermodynamical types of phase transitions are attributed to the Kosterlitz-Thouless mechanism, determined by local properties. In the case of hard needles they are influenced by the local orientational transition governed by the steric excluded-volume interactions which, according to the Onsager theory, takes place at the reduced density ρ* = 4.7 .

Nonequilibrium restructuring in two-dimensional Lennard-Jones system induced by a simple square start configuration.

In the present paper, we report a molecular dynamics simulation of two-dimensional Lennard-Jones system with a simple square start configuration. Mean square displacement was computed showing interesting dependence on high pressure conditions in short time scale, corresponding to an abrupt restructurization. This paper is the first to report the qualitative and quantitative details of this phenomenon.

The Enskog-type theory of the velocity autocorrelations in the two-dimensional nematic of hard needles.

As it was shown from molecular dynamics of two-dimensional hard needles, the uniaxial velocity autocorrelation function (VACF) of this system exhibits a two time scale character. This corresponds to the symmetry of the particles. In this paper we provide a theory of the Enskog type that corroborates the idea that the VACF can be successfully described as a sum of two single decays.

Velocity correlations of two-dimensional hard needles from molecular dynamics.

We present velocity correlations of a two-dimensional system of perfectly smooth hard needles from molecular dynamics. In a nematic phase the autocorrelation velocity function (ACF) clearly separates into two domains with, first, a very quick decay and, then, a long-lasting exponential-like decay that pertains to several characteristic times of the fast decay. The latter one is strongly subjected to the order of the system.