半经验反演方法计算两个二元气体混合物的粘度和扩散系数

利用粘度碰撞积分方程的直接反演方法计算了两个二元气体混合体系即苯-甲醇和甲烷-四氟甲烷的低密度势能．另外利用动力学理论以及对应态原理计算了两种体系不同温度和不同比例的粘度系数和扩散系数．计算结果和实验数据具有较好的一致性.     

Application of graphene nanoplatelets silica composite,prepared by sol–gel technology,as a novel sorbent in two microextraction techniques

In this study, the application of a novel nanomaterial composite was investigated in two microextraction techniques of solid‐phase microextraction and a needle trap device in a variety of sampling conditions. The optimum sampling temperature and relative humidity were 10°C and 20%, respectively, for both techniques with two sorbents of graphene/silica composite and polydimethyl siloxane. The two microextraction techniques with the proposed sorbent showed recoveries of 95.2 and 94.6% after 7 days. For the needle trap device the optimums desorption time and temperature were 3 min at 290°C and for SPME these measures were 1 and 1.5 min at 240–250°C for the graphene/silica composite and polydimethyl siloxane, respectively. The relative standard division obtained in inter‐ and intra‐day comparative studies were 3.3–14.3 and 5.1–25.4, respectively. For four sample the limit of detection was 0.021–0.25 ng/mL, and the limit of quantitation was 0.08–0.75 ng/mL. The results show that the graphene/silica composite is an appropriate extraction media for both techniques. Combining an appropriate sorbent with microextraction techniques, and using these in conjunction with a sensitive analytical instrument can introduce a strong method for sampling and analysis of occupational and environmental pollutants in air.     

Explanation of atomic displacement around lattice vacancies in diamond based on electron delocalization

The relationship between unpaired electron delocalization and nearest-neighbor atomic relaxations in the vacancies of diamond has been determined in order to understand the microscopic reason behind the neighboring atomic relaxation. The Density Functional Theory (DFT) cluster method is applied to calculate the single-electron wavefunction of the vacancy in different charge states. Depending on the charge and spin state of the vacancies, at outward relaxations, 84-90% of the unpaired electron densities are localized on the first neighboring atoms. The calculated spin localizations on the first neighboring atoms in the ground state of the negatively charged vacancy and in the spin quintet excited state of the neutral vacancy are in good agreement with Electron Paramagnetic Resonance (EPR) measurements. The calculated spin localization of the positively charged vacancy contrasts with the tentative assignment of the NIRIM-3 EPR signal to this center in (p-type) semiconductor diamond. The sign of the lattice relaxation in the diamond vacancy is explained based on the effect of electron delocalization on nearest-neighbor ion-ion screening, and also its effect on the bond length of neighboring atoms.     

Conductometric studies of the thermodynamics complexation of Li+, Na+, K+, Mg2+, and Ba2+ ions with 4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 ligand in acetonitrile, ethanol and methanol solutions

The complexation reaction between 4′,4″(5″)-di-tert-butyldibenzo-18-crown-6, ligand and Li⁺, Na⁺, K⁺, Mg²⁺, and Ba²⁺ ions were studied conductometrically in acetonitrile, ethanol, and methanol solutions. The formation constants of the 1:1 and 2:1 complexes (metal to ligand) were calculated from the computer fitting of the molar conductance in various mole ratios at 10, 20, 30, and 40 °C. The enthalpy and entropy changes of the complexation reactions in acetonitrile, ethanol, and methanol were estimated at four different temperatures.     

Effect of Nanofluid Treatment on Water Sensitive Formation to Investigate Water Shock Phenomenon,An Experimental Study

Permeability reduction in porous media as a result of frail and tenuous fine particles migration would decrease the productivity index in the subterranean reservoirs. During reservoir stimulation by injecting fluids into the reservoir, as the salinity condition of the formation brine changes, fine particles initiate the triggering process. In this study, MgO-based nanofluid as a fines fixation agent was stably prepared based on the particle size distribution and characterized through transmission electron microscopy analysis. Afterward, several core flooding tests were performed using Berea sandstone cores to study the effect of nanofluid injection on fines fixation in the water shock phenomenon. Permeability reduction occurred up to 95% of inchoate permeability for no treatment case, which was also confirmed by scanning electron microscopy analysis. Finally, MgO nanofluid with 0.03 wt% concentration and 120 minutes soaking time in the core mitigated the fine particles release and fixed them on the pore walls' surfaces critically reducing the formation damage. The analysis shows that outweighing the attraction potentials compared to repulsions was the main mechanism after nanofluids treatment.     

Graphene and Graphene/Polymer Composites as the Most Efficient Protective Coatings for Steel,Aluminum and Copper in Corrosive Media: A Review of Recent Studies

The metal corrosion is considered as a severe threat to the national economy and industry structure, capable of triggering significant economic losses and severe damages, involving innumerable fields in daily life and industries. This review provides an overview of the physioelectrochemical studies on anticorrosive properties of various types of graphene coatings. Required electrochemical techniques for the investigation of anticorrosive efficiency, various types of graphene‐based materials coatings along with different routes to provide desirable coated layers are discussed in detail. After all, we intend to show that the modified graphene nanosheets can be regarded as effective protective layers against metal corrosion not only because of their extraordinary mechanical strength and toughness, which can be reached with a vastly thin layer, but also for their high transparency, cost‐efficiency and stability.     

A stochastic multi-period industrial hazardous waste location-routing problem: Integrating NSGA-II and Monte Carlo simulation

The present study extends a multi-objective mathematical model in the context of industrial hazardous waste management, which covers the integrated decisions of three levels with locating, vehicle routing, and inventory control. Analyzing these decisions simultaneously not only may lead to the most effective structure in the waste management network, but also may reduce the potential risk of managing the hazardous waste. Furthermore, because of the inherent complexity of the waste management system, uncertainty is inevitable and should be acknowledged to guarantee reliability in the decision-making process. From this perspective, the proposed model is novel in the following three aspects: (1) shifting from a deterministic to stochastic environment; (2) considering a multi-period planning horizon; and (3) incorporating the inventory decisions into the problem. The problem is formulated as a multi-objective stochastic Mixed-Integer Nonlinear Programming (MINLP) model, which can be easily converted into a MILP one. In terms of methodological contribution, a new simheuristic approach that is an integration of Non-Dominated Sorting Genetic Algorithm-II (NSGA-II) and Monte Carlo simulation is developed to overcome the stochastic combinatorial optimization problem of this study. Our findings verify the efficiency of the proposed approach as it is able to find a high-quality solution within a relatively reasonable computational time.     

Application of solid phase microextraction and needle trap device with silica composite of carbon nanotubes for determination of perchloroethylene in laboratory and field

In this paper solid phase microextraction (SPME) and needle trap device (NTD) as two in-progress air monitoring techniques was applied with silylated composite of carbon nanotubes for sampling and analysis of perchloroethylene in air. Application of SPME and NTD with proposed nano-structured sorbent was investigated under different laboratory and experimental parameters and compared to the SPME and NTD with CAR/PDMS. Finally the two samplers contained nano-sorbent used as a field sampler for sampling and analysis of perchloroethylene in dry cleaning. Results revealed that silica composite form of CNTs showed better performance for adsorbent of perchloroethylene. SPME and NTD with proposed sorbent was demonstrated better responses in lower levels of temperature and relative humidity. For 5 days from sampling the relative responses were more than 97% and 94% for NTD and SPME, respectively. LOD were 0.023 and 0.014 ng mL⁻¹ for SPME coated CNTs/SC and CAR/PDMS, and 0.014 and 0.011 ng mL⁻¹ for NTD packed with CNTs/SC and CAR/PDMS, respectively. And for consecutive analysis RSD were 3.9–6.7% in laboratory and 4.43–6.4% in the field. In the field study, NTD was successfully applied for determining of the PCE in dry cleaning. The results show that the NTD packed with nanomaterial is a reliable and effective approach for the sampling and analysis of volatile compounds in air.     

Separation and sensitive determination of quercetin in <Emphasis Type="Italic">Rosa canina</Emphasis> L. using solidified floating organic drop microextraction followed by high-performance liquid chromatography determination

Quercetin is a polyphenolic flavonoid found in many plants and is used as a nutritional supplement. It has been reported to have biological properties that may play an important role in the prevention of human diseases, such as cancer, cardiovascular diseases, diabetes, ulcer, cataract and allergies. In this research, solidified floating organic drop microextraction coupled to high-performance liquid chromatography was used to extract and determine quercetin in Rosa canina L., growing in different areas of Lorestan Province in Iran. The effect of important experimental variables such as type and volume of extracting organic solvent, extraction temperature and time, pH and effect of ionic strength on the extraction recovery was investigated and optimized. Under the optimum extraction conditions, a linear response was obtained over the range of 0.5–40 µg mL^?1. Relative standard deviation (RSD%) and enrichment factor were found to be 3.4% and 230, respectively. The proposed method was applied successfully for the determination of quercetin in calycles and fruit of R. canina L. samples. The results showed good agreement compared with those obtained by a validated standard method.     

Properties of a certain product of submodules

Let R be a commutative ring with identity, let M be an R-module, and let K ₁, . . . ,K _n be submodules of M: We construct an algebraic object called the product of K ₁, . . . ,K _n : This structure is equipped with appropriate operations to get an R(M)-module. It is shown that the R(M)-module M ⁿ   = M . . .M and the R-module M inherit some of the most important properties of each other. Thus, it is shown that M is a projective (flat) R-module if and only if M ⁿ is a projective (flat) R(M)-module.