Novel photosensitizer for dye-sensitized solar cell based on ionic liquid–doped blend polymer electrolyte

The existing energy situation demands not only the huge energy in a short time but also clean energy. In this regard, an integrated photo-supercapacitor device has been fabricated in which photoelectric conversion and energy storage are achieved simultaneously. A novel carbazole-based dye is synthesized and characterized for photosensitizer. The silver-doped titanium dioxide (Ag-TiO₂) is synthesized, and it is used as photoanode material. Different concentrations of tetrabutylammonium iodide (TBAI)-doped polyvinyl alcohol–polyvinylpyrrolidone (PVA-PVP) blend polymer electrolytes are prepared, and their conductivity and dielectric properties were studied. Reduced graphene oxide (r-GO) is synthesized by a one-pot synthesis method and confirmed using Raman spectroscopy for counter electrode material in dye-sensitized solar cell (DSSC) and supercapacitor electrodes. The DSSC having 4% Ag-TiO₂–based photoanode showed the highest efficiency of 1.06% (among r-GO counter electrodes) and 2.37% (among platinum counter electrodes). The supercapacitor before integration and after integration exhibits specific capacitance of 1.72 Fg⁻¹ and 1.327 Fg⁻¹, respectively.

Graphical Abstract

     

On-matrix derivatisation-extraction of precursors of nitrogen- and sulfur-mustards for verification of chemical weapons convention

Development and refinement of sample preparation protocols for retrospective detection and identification of chemical warfare agents (CWAs) and their markers is of paramount importance from verification point of view of chemical weapons convention (CWC). Precursors of nitrogen- and sulfur-mustards (NMPs and SMPs) are polar adsorptive markers of vesicant class of CWAs. Their detection in a given environmental sample may imply past contamination with mustards. For the efficient extraction of NMPs and SMPs from soil, on-matrix derivatisation-extraction (OMDEX) method was developed and optimized. The method involved trifluoroacetylation of analytes on soil itself, followed by extraction with suitable solvent. The extracted samples were analyzed by gas chromatography-mass spectrometry (GC-MS). This virtually single-step sample preparation offered better recoveries of NMPs and SMPs in comparison to conventionally used extraction, evaporation and derivatisation. The best recoveries of analytes were obtained with acetonitrile by OMDEX method. Dynamic linearity range of trifluoroacetylated (TFA) derivatives of NMPs and SMPs was 1-12 microg/L in GC-MS analysis in SIM mode. Repeatability and reproducibility of this technique containing 5 and 10 microg analytes/gm soil was <3.3% and <4.6%, respectively. OMDEX technique was finally applied for the detection of TFA derivatives of NMPs in the soil sample supplied in 16th official proficiency test conducted by OPCW in October 2004.     

Assignment of 13C resonances of a nematic liquid crystal using off-magic angle spinning

A novel method for assigning the resonances in the 13C NMR spectrum of a static liquid crystalline sample in its nematic phase is proposed. The method is based on the fact that the carbon chemical shifts in the isotropic phase and in the oriented phase under static and off-magic angle spinning (OMAS) conditions are uniquely related by the tensorial property of the CSA tensor, requiring just one OMAS spectrum and the assignment in the isotropic phase. A computational procedure is proposed to take into account deviations arising out of non-ideal experimental conditions and the assignments are made by identifying the minimum in the differences in the frequencies between calculated and experimental line positions. Practical implementation of the method has also been demonstrated in the case of the liquid crystal N-(4-ethoxybenzylidene)-4-n-butylaniline.     

Inter-comparison and validation of computational fluid dynamics codes in two-stage meandering channel flows

This paper presents a study in the inter-comparison and validation of three-dimensional computational fluid dynamics codes which are currently used in river engineering. Finite volume codes PHOENICS, FLUENT and SSIIM; and finite element code TELEMAC3D are considered in this study. The work has been carried out by competent hydraulic modellers who are users of the codes and not involved in their development. This paper is therefore written from the perspective of independent practitioners of the techniques. In all codes, the flow calculations are performed by solving the three-dimensional continuity and Reynolds-averaged Navier–Stokes equations with the k–ε turbulence model. The application of each code was carried out independently and this led to slightly different, but nonetheless valid, models. This is particularly seen in the different boundary conditions which have been applied and which arise in part from differences in the modelling approaches and methodology adopted by the different research groups and in part from the different assumptions and formulations implemented in the different codes. Similar finite volume meshes are used in the simulations with PHOENICS, FLUENT and SSIIM while in TELEMAC3D, a triangular finite element mesh is used. The ASME Journal of Fluids Engineering editorial policy is taken as a minimum framework for the control of numerical accuracy. In all cases, grid convergence is demonstrated and conventional criteria, such as Y⁺, are satisfied. A rigorous inter-comparison of the codes is performed using large-scale experimental data from the UK Flood Channel Facility for a two-stage meandering channel. This example data set shows complex hydraulic behaviour without the additional complications found in natural rivers. Standardised methods are used to compare each model with the available experimental data. Results are shown for the streamwise and transverse velocities, secondary flow, turbulent kinetic energy, bed shear stress and free surface elevation. They demonstrate that the models produce similar results overall, although there are some differences in the predicted flow field and greater differences in turbulent kinetic energy and bed shear stress. This study is seen as an essential first step in the inter-comparison of some of the computational fluid dynamics codes used in the field of river engineering.     

Binary group facets with complete support and non-binary coefficients

We identify binary group facets with complete support and non-binary coefficients. These inequalities can be used to obtain new facets for larger problems using Gomory’s homomorphic lifting.     

BHC Residues in Milk: A Gas Chromatographic Investigation

Abstract

BHC residues were determined in milk samples of cows and buffaloes (Indore, M.P., India), α-, β- and γ-BHC were identified in samples from four different localities using gas chromatography. All samples were contaminated with BHC, with the toxic gamma isomer appearing in the largest concentration. Buffalo milk was more contaminated than cow milk, with maximum values of 17 and 12 μg/l, respectively.     

Comparison of hydrogen- and halogen-bonding interactions in the complexes of the substituted carbonyl compounds with hypohalous acids and monohaloamines

Structural Chemistry - An ab initio study of the complexes formed by hypohalous acids and monohaloamines (designated as HAX where A = O or NH and X = Cl, Br, or I) with RCHO (R = H, CH3, OCH3, and...     

Diorganotin(IV) complexes derived from thiazole Schiff bases: synthesis,characterization, antimicrobial and cytotoxic studies

Research on Chemical Intermediates - Organotin(IV) complexes are gaining major attention as drug candidates, accordingly we have synthesized a cluster of novel diorganotin(IV) complexes R2SnClL...