Wrapping carbon nanotubes by biopolymer chains: Role of nanointerfaces in detection of vapors in conductive polymer composite transducers

Chitosan (CS) and hydrophobic‐modified chitosan (HM‐CS) chains were wrapped onto multiwalled carbon nanotubes (MWNTs) and introduced to polyvinyl alcohol (PVA) matrices as nanohybrid conductive polymer composites (CPCs) for detection of polar vapors. The effect of grafted alkyl groups on polarity of CS chains were studied by quantum mechanics (QM). The designed composites were applied as sensitive layers to clarify the response mechanism in CPCs gas sensors. It was realized that the wrapped biopolymers intensely influenced the sensitivity of the composites. Experiment results specified that the nature of biomacromolecules and their interactions with vapor molecules affects the resistance change in CPCs. The higher interaction of CS with polar vapor molecules caused more plasticization of polymer segments in the MWNTs connections. Such phenomenon enhanced the resistance change in the presence of analytes. Moreover, it was inferred that the semiconductor character of MWNTs has an important effect in the final signals. The more polar structure of CS in comparison with HM‐CS enhanced the adsorption of vapor molecules on the surface of MWNTs, and the electron donor analytes decreased the conductivity of p‐type MWNTs increasing the final responses. The presented results corroborate that the performance of CPCs gas sensors could be finely tuned through manipulation of the nanointerfaces. POLYM. COMPOS., 37:2803–2810, 2016. © 2015 Society of Plastics Engineers     

An innovative approach to electro-oxidation of dopamine on titanium dioxide nanotubes electrode modified by gold particles

Au/TiO₂/Ti electrodes were prepared by galvanic deposition of gold particles from an acidic bath containing KAu(CN)₂ in the presence of a citrate buffer onto TiO₂ nanotubes layer on titanium substrates. Titanium oxide nanotubes were fabricated by anodizing titanium foil in a DMSO fluoride-containing electrolyte. The morphology and surface characteristics of Au/TiO₂/Ti electrodes were investigated using scanning electron microscopy and energy-dispersive X-ray, respectively. The results indicated that gold particles were homogeneously deposited on the surface of TiO₂ nanotubes. The nanotubular TiO₂ layers consist of individual tubes of about 40–80 nm diameters. The electro-catalytic behavior of Au/TiO₂/Ti electrodes for the dopamine electro-oxidation was studied by cyclic voltammetry and differential pulse voltammetry. The results showed that Au/TiO₂/Ti electrodes exhibit a considerably higher electro-catalytic activity toward the oxidation of dopamine. The catalytic oxidation peak current showed a linear dependence on dopamine concentration and a linear calibration curve was obtained in the concentration range of 0.5–2.5 mM of dopamine.     

3-D simulation of particle filtration in electrospun nanofibrous filters

Virtual 3-D geometries resembling the internal microstructure of electrospun fibrous materials are generated in this work to simulate the pressure drop and collection efficiency of nanofibrous media when challenged with aerosol particles in the size range of 25 to 1000 nm. In particular, we solved the air flow field in the void space between the fibers in a series of 3-D fibrous geometries with a fiber diameter in the range of 100 to 1000 nm and a Solid Volume Fraction (SVF) in the range of 2.5 to 7.5%, using the Fluent CFD code, and simulated the flow of large and fine particles through these media using Lagrangian and Eulerian methods, respectively. Particle collection due to interception and Brownian diffusion, as well as the slip effect at the surface of nanofibers, has been incorporated in the CFD calculations by developing customized C++ subroutines that run in the Fluent environment. Particle collection efficiency and pressure drop of the above fibrous media are calculated and compared with analytical/empirical results from the literature. The numerical simulations presented here are believed to be the most complete and realistic filter modeling published to date. Our simulation technique, unlike previous studies based on oversimplified 2-D geometries, does not need any empirical correction factors, and can be used to directly simulate pressure drop and efficiency of any fibrous media.     

Solubility analysis of clozapine and lamotrigine in supercritical carbon dioxide using static system

The experimental techniques used to obtain the solubilities of clozapine and lamotrigine in supercritical carbon dioxide include a simple static technique. The solubility measurements were performed at temperatures between 318 and 348 K and pressures between 121.6 and 354.0 bar. These chemicals have solubilities with values ranging from 3.6 × 10⁻⁶ to 4.2 × 10⁻⁵ (clozapine) and 1 × 10⁻⁶ to 6 × 10⁻⁵ (lamotrigine) mole fraction. The solubility data were correlated using four semi-empirical density-based models (Chrastil, Bartle, K-J and M-T models). Correlation of the results shows good self-consistency of the data obtained with the Bartle model for clozapine with an overall average absolute relative deviation (AARD%) of 11.21. The calculated results with each four models show satisfactory agreement with the experimental data for lamotrigine with an overall AARD% 11.72, 8.99, 2.75, 3.86 for Chrastil, K-J, Bartle, M-T models, respectively. Using the correlation results, the heat of drug-CO₂ solvation and that of drug vaporization were approximated.     

Modeling permeability of 3-D nanofiber media in slip flow regime

Over the last few decades, numerous analytical and/or numerical expressions have been developed for predicting the permeability of a fibrous medium. These expressions, however, are not accurate in predicting the permeability of media made up of nanofibers. This is because the previous expressions were mostly developed for coarse fibers, where using the so-called no-slip velocity boundary condition at the fiber surface is quite justified. Removing the no-slip velocity restriction in this work, we study the effect of slip flow on the permeability of fibrous materials made up of nanofibers. This has been accomplished by generating a large series of 3-D virtual geometries that resemble the microstructure of a nanofiber (e.g., electrospun) material. Stokes flow equations are solved numerically in the void space between the nanofibers, with the slip flow boundary condition developed based on the Maxwell first order model. The influence of fiber diameter and solid volume fraction (SVF) on the media's permeability is studied, and used to establish a correction factor for the existing permeability expressions when used for nanofiber media.     

Clarifying the effects of comonomer distribution between short and long chains on physical and mechanical properties of ethylenic copolymers

In this paper, two Zigler-Natta catalysts (ZNCs) were used to synthesize a commercially available linear low-density polyethylene (LLDPE), widely used in the packaging industry, on an industrial scale. The catalysts differ only in their ability to distribute comonomers between short and long chains. Both catalysts were fully characterized in the first section, and two similar ethylene/1-butene copolymers were made using them. Afterward, the produced copolymers were fully characterized using different techniques; namely, differential scanning calorimetry (DSC), successive self-nucleation and annealing (SSA), oxygen induction time (OIT), melt flow index (MFI), rheometric mechanical spectroscopy (RMS), and a wide range of mechanical experiments. It was revealed that while the presence of comonomers in short chains can reduce their resistance against oxidation (by more than 30%) and can cause a dramatic change in friction coefficients (by more than 20%), some of the other main mechanical properties of the made copolymers were independent of comonomer distribution between long and short chains. In addition, it was shown that ethylenic copolymers' strain hardening modulus (SHM) takes advantage of the homogenous distribution.     

Modified guar gum: An alternative source for printing of cotton fabric with reactive dye

The alginate thickener is the thickener frequently used for reactive printing of textile. The thickener responds with reactive pigments and thus does not lead to the fabric composition becoming stiffer. In this study, we prepared oxidised natural guar gum with hydrogen peroxide, sodium hypochlorite and sodium hydroxide. All other polysaccharides comprise reactive hydroxyl units with a stronger reactivity that must be replaced if they are to be used in reactive printing. Guar derivatives were synthesised and verified using Fourier-transform infrared (FTIR) spectroscopy. Natural thickeners, synthetic guar gum derivatives, have been employed in textile printing technique. In comparison to other synthetic thickeners, modified environmental guar gum polymer has been shown to be an ecologically friendly and low-cost thickener. Cotton fabric printed with modified guar thickening with hydrogen peroxide has even stronger colour strength than fabric printed with sodium alginate thickener, which is highly favourable. Penetration properties, colour value, colour strength, colour fastness to washing, light and rubbing was compared with alginate thickener (readily available on the market). Guar gum thickeners showed enhanced features versus sodium alginate for reactive printing. Partially replaced guar gum is an appropriate option due to the colour and physical properties.     

Analytical Solution for Thermomechanical Vibration of Double-Viscoelastic Nanoplate-Systems Made of Functionally Graded Materials

In this article, based on the nonlocal elasticity theory of Eringen, dynamic characteristics of a double-FGM viscoelastic nanoplates-system subjected to temperature change with considering surface effects (surface elasticity, tension and density) is studied. Two Kirchhoff nanoplates are coupled by an internal Kelvin–Voigt viscoelastic medium and also are limited to the external Pasternak elastic foundation. The material properties of the simply supported functionally graded nanoplates are assumed to follow power law distribution in the thickness direction. The governing equations of motion for three cases (out-of-phase vibration, in-phase vibration and one nanoplate fixed) are derived from Hamilton's principle. The analytical approach is employed to determine explicit closed-form expression for complex natural frequencies of the system. Numerical results are presented to show variations of the frequency of double-FGM viscoelastic nanoplates corresponding to various values of the nonlocal parameter, temperature change, power law index, aspect ratio and transverse and shear stiffness coefficients of the Pasternak elastic foundation. Moreover, influence of higher order modes, viscoelastic structural damping and damping coefficient of the viscoelastic medium on vibration characteristics are investigated. Numerical results show that natural frequency is greatly influenced by surface elastic modulus and residual surface stress.