A simplified equation of state for polymer melts from perturbed Yukawa hard-sphere chain

This paper addresses the modeling of the pressure?Cvolume?Ctemperature (PVT) properties of 14 polymer melts using simplified Yukawa hard-sphere-chain equation of sate (EOS) plus first-order perturbation theory. Three pure-component parameters appeared in the EOS have been determined via the volumetric data. These parameters reflect the segment number, non-bonded segment?Csegment interaction energy, and segment size. Likewise, this study considered chains that interact through a range-parameter of Yukawa potential with l.8. The reliability of the proposed model has been assessed by comparing the results with 1,315 experimental data points over a broad range of pressures and temperatures for which, their measured values were available in the literature. Our calculations on the specific volume of studied liquid polymers reproduce very accurately the experimental PVT data. The overall average absolute deviation of the calculated specific volumes from literature data was found to be 0.89?%.     

A novel algorithm to study the impact of the mismatch on analog building blocks: a case study in basic 35 nm CMOS amplifiers

In this paper, the context of modeling of the impact of mismatch and statistical variations on analogue circuit building blocks is emphasized. The aim is to develop a new algorithm which predicts the statistical behavior of important parameters of an amplifier including output resistance, voltage gain and trans-conductance. The relative error of standard deviation of statistical parameters will remain less than 5% compared with the most accurate Monte-Carlo (MC) simulations using atomistic library model-cards. In comparison with other models which are based on the normal distribution of parameters, the proposed model does not need this limiting presumption. On the other hand, the proposed algorithm is more efficient compared with time consuming MC atomistic simulations.     

Analysis of multistage amplifiers with hybrid cascode feedforward compensation using a modified model for load impedance

Hybrid cascode feedforward compensation (HCFC) is an effective technique to stabilize nano-scale three-stage amplifiers driving ultra-large load capacitors. It divides the compensation capacitance and shares it between two high-speed local feedback loops embedded within the amplifier core. In this article, a systematic approach to analyze the transfer function and to evaluate the pole expressions of nano-scale HCFC amplifiers is presented. For the first time, the equivalent output impedance is successfully modeled to approximate the complicated transfer function of the HCFC amplifier without the need for lengthy pencil-and-paper calculations. An HCFC amplifier is designed and simulated in 90-nm CMOS technology, to verify the effectiveness of the new analytic approach. The simulated transfer function of the amplifier is almost identical to a calculated transfer function derived based on the new model.     

Nanoscale mass nanosensor based on the vibration analysis of embedded magneto-electro-elastic nanoplate made of FGMs via nonlocal Mindlin plate theory

Microsystem Technologies - In the current paper, the sensitivity performance of functionally graded magneto-electro-elastic (FG-MEE) nanoplate with attached nanoparticles as a nanosensor is...     

Numerical Simulation of the Mechanical Properties of Sintered and Bonded Perforated Hollow Sphere Structures (PHSS)

This paper investigated the uniaxial mechanical properties of a new type of hollow sphere structures. For this new type, the sphere shell was perforated by several holes in order to open the inner sphere volume and surface. The mechanical properties, i.e. elastic properties and initial yield stress of perforated hollow sphere structures (PHSS) in a primitive cubic arrangement were numerically evaluated for different hole diameters and different joining techniques of the hollow spheres. The results are compa...     

Chemisorption,physisorption and hysteresis during hydrogen storage in carbon nanotubes

The question of chemisorption versus physisorption during hydrogen storage in carbon nanotubes (CNTs) is addressed experimentally. We utilize a powerful measurement technique based on a magnetic suspension balance coupled with a residual gas analyzer, and report new data for hydrogen sorption at pressures of up to 100 bar at 25 °C. The measured sorption capacity is less than 0.2 wt.%, and there is hysteresis in the sorption isotherms when multi-walled CNTs are exposed to hydrogen after pretreatment at elevated temperatures. The cause of the hysteresis is then studied, and is shown to be due to a combination of weak sorption – physisorption – and strong sorption – chemisorption – in the CNTs. Analysis of the experimental data enables us to calculate separately the individual hydrogen physisorption and chemisorption isotherms in CNTs that, to our knowledge, are reported for the first time here. The maximum measured hydrogen physisorption and chemisorption are 0.13 wt.% and 0.058 wt.%, respectively.     

A novel solvent-impregnated resin containing 3-hydroxy-2-naphthoic acid for stepwise extraction of Th(IV) and U(VI) over other coexistence ions

A new solvent-impregnated resin (SIR) was constructed using Amberlite XAD-2 and 3-hydroxy-2-naphthoic acid (3H2NA). The SIR was applied for stepwise extraction of Th(IV) and U(VI) from the coexistence ions dissolved in aqueous media at pHs of 3.0 and 7.0, respectively. The U(VI) and Th(IV) ions adsorbed on the minicolumn were consecutively eluted with 0.5 M and 4 M HCl solutions. They were then measured by Arsenazo III at their maximum absorption wavelengths. The characteristic parameters for the successful separation of these ions from the aqueous media were investigated. The SIR showed excellent reproducibility during the 800 subsequent extraction cycles.     

Application of mesoporous magnetic carbon composite for reactive dyes removal: Process optimization using response surface methodology

Discharging the effluents of textile wastewaters into potable water resources can endanger the ecosystem, due to their reactivity, toxicity, and chemical stability. In this research, the application of powder activated carbon modified with magnetite nanoparticles (PAC-MNPs) as an adsorbent for removal of reactive dyes (Reactive black 5 (RB5) and reactive red 120 (RR120)) was studied in a batch system. The adsorption performance was evaluated as a function of temperature, contact time and different adsorbent and adsorbate concentrations. The levels of factors were statistically optimized using Box-Behnken Design (BBD) from the response surface methodology (RSM) to maximize the efficiency of the system. The adsorption process of both dyes was fit with the pseudo-second order kinetic and Langmuir isotherm models. The identified optimum conditions of adsorption were 38.7 °C, 46.3 min, 0.8 g/L and 102 mg/L for temperature, contact time, adsorbent dose, and initial dyes concentration, respectively. According to the Langmuir isotherm, the maximum sorption capacities of 175.4 and 172.4 mg/g were obtained for RB5 and RR120, respectively. Thermodynamics studies indicated that the adsorption process of the reactive dyes was spontaneous, feasible, and endothermic. After five cycles, the adsorption efficiency was around 84 and 83% for RB5 and RR120, respectively. A high value of desorption was achieved, suggesting that the PAC-MNPs have a good potential in regeneration and reusability, and also can be effectively utilized in industrial applications. PAC-MNPs also show a good anti-interference potential for removal of reactive dyes in dye-industry wastewaters.     

Simultaneous multi-objective optimization of a new promoted ethylene dimerization catalyst using grey relational analysis and entropy measurement

A hybrid approach between the Taguchi method and grey relational analysis (GRA) with entropy measurement was applied to determine a single optimum setting for reaction factors of the proposed ethylene dimerization catalyst having overall selectivity to 1-butene (S_1-btn (%)) and turnover frequency (TOF (h^-1)) as multiple quality characteristics. Titanium tetrabutoxide (Ti(OC₄H₉)₄) catalyst precursor in combination with triethyl aluminum (TEA) activator, 1,4-dioxane as a suitable modifier, and ethylene dichloride (EDC) as a novel promoter were used in the catalysis. Control factors of temperature, pressure, Al/Ti, 1,4-dioxane/Ti, and EDC/Ti mol ratios were investigated on three levels and their main effects were discussed. The effect of the binary interaction between temperature, pressure, and Al/Ti mol ratio was also examined. Weight of the responses was determined using entropy. Analysis of variance (ANOVA) for data obtained from GRA indicated that EDC/Ti mol ratio with 27.64% contribution had the most profound effect on the multiple quality characteristics. Development of the weighted Grey-Taguchi method used the Taguchi method as its basic structure, adopted GRA to deal with multiple responses, and entropy to enhance the reasonability of the comprehensive index produced by GRA to make the results more objective and accurate. Overall, these combined mathematical techniques improved catalytic performance for 1-butene production.     

A modified thermodynamic insight to deliquescence of a void‐containing nanocrystal confirmed by MD simulation

Existence of voids in crystalline structures can affect their physical and chemical properties considerably. When the size of the crystal reaches to nanoscale, experimental determination of its void fraction is difficult. In this work, a molecular dynamics approach is introduced to find equilibrium void fractions of a simple cubic (CsCl) and fcc (KCl) nanocrystals by determination of their deliquescence relative humidity (DRH) for different sizes and void fractions and extrapolation of the results to the bulk limit. To confirm the simulation results, the size dependency of DRH to the nanoparticle size was studied thermodynamically by inclusion of size‐dependent density of water nanodroplet which leads to a simple homographic equation. This method proposes the equilibrium void percents of CsCl and KCl nanoparticles to be 10 and 15%, respectively, which are obtained by extrapolation of the results to the bulk limit. The success of obtained Möbius function was also confirmed by fitting it to experimental data for deliquescence of NaCl nanoparticles which implies the importance of considering density of water nanodroplet as a size dependent quantity. Also, using the mentioned thermodynamic approach, void dependency of deliquescence for the nanoparticles was found to be as a quasi‐linear trend which is compatible with the simulation results. It is noticeable that the approach used this work for determination of equilibrium void fraction is only valid if the utilized force fields are accurate. © 2016 American Institute of Chemical Engineers AIChE J, 62: 4066–4077, 2016