The polymerisation of 2-furyl vinyl ketone

Summary 2-Furyl vinyl ketone was polymerised using anionic, cationic and free-radical initiators. Yields and molecular weights varied with the type of activation. Whereas radical polymerisation gave a product possessing a regular vinylic structure, other kinds of units were detected in the polymers prepared with anionic and cationic catalysts.     

The Solutions on One-Dimensional Dirac Oscillator with Energy-Dependent Potentials and Their Effects on the Shannon and Fisher Quantities of Quantum Information Theory

Journal of Low Temperature Physics - In this paper, we focus, at first, on the exact solutions on the one-dimensional Dirac oscillator with the energy-dependent potentials. Then, the influence of...     

First principles calculations of structural,electronic, optical and thermodynamic properties of PbS,SrS and their ternary alloys Pb1−xSrxS

Using first-principle method, we investigate the structural, electronic, optical and thermodynamic properties of the strontium semiconductors Pb_1?xSr_xS with 25%, 50% and 75% of Sr. The calculations are performed by using the full-potential linearized augmented plane wave (FP-LAPW) method. As exchange–correlation potential we used the generalized gradient approximation (GGA) of Perdew et al. The variation of the calculated equilibrium lattice constant versus concentration shows that a small deviation from Vegard’s law is clearly visible with downward bowing parameter equal to 0.009 Å. The bulk modulus as a function of x for Pb_1?xSr_xS alloy shows a significant deviation from the linear concentration dependence (LCD) with downward bowing equal to 6.62 GPa. The different roles of structural and chemical effects on the gap bowing and its variation with composition are identified and discussed. In addition, density of states and optical properties were calculated and compared to the available experimental data and previous theoretical works. On the other hand, the thermodynamic stability of these alloys was investigated by calculating the excess enthalpy of mixing ΔH_m as well as the phase diagram.     

Energy and economic assessment of soda and organosolv biorefinery processes

Lignocellulosic biomass, particularly agricultural and forestry residues, is becoming a potential renewable energy and products source. Lignocellulosic biomass processing technologies include a primary separation of its main constituents, cellulose, hemicelluloses and lignin, as well as further treatment and processing to obtain different platform chemicals to design consistently structured compounds as chemical building blocks. The economic competitiveness of the obtained products is highly dependent on the separation and purification technologies used and the process energetic efficiency. For this proposal, process simulation tools are very useful to design a competitive and effective biorefinery scheme. In the present work, the energetic and economical efficiencies of two biorefinery processes, soda and organosolv-ethanol systems, were analyzed using the simulation software Aspen Plus^®. The process design consisted of several units (reaction, solid fraction washing, products recovery and liquid fraction processing). Mass and energy balances were established and both systems were compared in terms of yield, solvents/reactants recovery and energy consumption. Aspen HX-Net software was used to analyze the process heat exchange network in order to improve energy consumptions. The development of rigorous simulations allowed to determine the economical feasibility of both biorefinery schemes, and to establish the most appropriate operation conditions for both processes.     

Physical investigations on Ni doping ZnO thin films along with ethanol response

Journal of Materials Science: Materials in Electronics - Undoped and Ni-doped ZnO thin films were grown on glass substrates at 460 °C using the spray pyrolysis method. All samples...     

Economic analysis of the energy-efficient household appliances and the rebound effect

Many strategies, such as improving energy efficiency, were identified as solutions to reduce energy consumption and carbon emissions. Nonetheless, the presence of a rebound effect could lead to a decrease in potential energy savings and carbon reductions resulting from technological advances in energy consumption. This study focuses on direct and indirect rebound effects on households’ behavior. We examine the situation where consumers demand two types of energy services and explore how their choices are affected by changes in the efficiency of providing these services—and, importantly, the consequent implications for energy use. We employ a (narrowly construed) general equilibrium methodology in an attempt to provide a complete picture of the interactions in play in a theoretically confined setting. We limit the general equilibrium problem to two categories of energy appliances but include consideration of the production side of the equation and consequent budget implications, thus “closing” the system in a general equilibrium sense. We find that rebound magnitudes (both indirect and direct) are large.     

Lignin liquefaction under microwave heating

Organosolv lignin from olive tree pruning was subjected to liquefaction under microwave heating and modifying the experimental conditions (time, temperature, and concentration of catalyst) according to an experimental design. The organosolv lignin and obtained polyols were characterized using attenuated‐total reflection infrared spectroscopy (ATR‐IR), thermogravimetric analysis (TGA), gel permeation chromatography, and another parameter such as the hydroxyl number (I_OH). The ATR‐IR and the TGA results showed that the solvents (polyethylene glycol #400 and glycerol) reacted with the lignin being present in the final product. The optimal polyol showed a liquefaction yield of 99.07% that was obtained in 5 min of reaction at 155°C with 1% of sulphuric acid. The liquefaction product showed a hydroxyl number of 811.8 mg KOH/g, suitable to be used as a precursor in polyurethane foam synthesis. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 3292–3298, 2013     

Structural,electronic and thermodynamic properties of SrxCd1−xO: A first-principles study

First principles calculations have been performed within the framework of density functional theory to investigate the structural, electronic and thermodynamic properties of Sr_xCd_1?xO ternary alloys. The exchange-correlation potential for structural properties was calculated by the standard local density approximation (LDA) and GGA (PBE), a more accurate nonempirical density functional generalized gradient approximation (GGA), as proposed by Wu and Cohen [Physical Review B 73 (2006) 235116], while for electronic properties, the Engel and Vosko GGA (EVGGA) and the modified Becke–Johnson (MBJ) of the exchange-correlation energy and potential, respectively, are used. Deviation of the lattice constants from Vegard's law and bulk modulus from linear concentration dependence (LCD) were observed for the ternary alloys. The MBJ band gaps values agree well with the available experimental results. In addition the thermodynamic stability of the alloys was investigated by calculating the critical temperatures of alloys.     

Breakdown for a Kirchhoff-type Beam with a Fractional Boundary Feedback

A Kirchhoff-type equation describing the transversal vibrations of a beam is considered. The beam is clamped to a rigid base at one part of its edge and free at the remaining part. On the free part, it is subject to a feedback involving fractional derivatives instead of the classical velocity of the deflection and angular velocity. In presence of an external nonlinear source we prove that solutions blow up at a finite time.      

Miscanthus sinensis fractionation by different reagents

Miscanthus sinensis L. was fractionated by different reagents (ethanol, soda and soda–ethanol) in order to obtain cellulose, hemicelluloses and lignin. Characterization of original M. sinensis fibres (66.6% holocellulose, 36.1% α-cellulose, and 15.5% lignin) was done and compared with other biomass species chemical composition (alternative raw materials, agriculture residues, coniferous and leafy plants). Obtained solid fractions were chemically characterized and compared with solid fractions from other biomass products (palm oil empty fruit bunches (EFB) and rice straw) generated by similar fractionation processes (soda and organosolv). Soda process produced the solid fraction with the highest content in α-cellulose and lowest content in lignin revealing a strong fractionation effect. On the contrary, soda–ethanol process was found to present low fractionation capability. Obtained cellulose samples were characterized by FTIR to complete the chemical structure analysis. Lignin samples isolated from the liquid fractions were submitted to FTIR, ¹H NMR, GPC, DSC and TGA in order to suggest suitable applications for the products based on their properties.