Automated chemical resonance generation and structure filtration for kinetic modeling

This work discusses efficient and automated methods for constructing a set of representative resonance structures for arbitrary chemical species, including radicals and biradicals, consisting of the elements H, C, O, N, and S. Determining the representative reactive structures of chemical species is crucial for identification of reactive sites and consequently applying the correct reaction templates to generate the set of important reactions during automated chemical kinetic model generation. We describe a fundamental set of resonance pathway types, accounting for simple resonating structures, as well as global approaches for polycyclic aromatic species. Automatically discovering potential localized structures along with filtration to identify the representative structures was shown to be robust and relatively fast. The algorithms discussed here were recently implemented in the Reaction Mechanism Generator (RMG) software. The final structures proposed by this method were found to be in reasonable agreement with quantum chemical computation results of localized structure contributions to the resonance hybrid.     

Microfunnel‐filter‐based emulsification microextraction followed by gas chromatography for simple determination of organophosphorus pesticides in environmental water samples

A simple and fast method named microfunnel‐filter‐based emulsification microextraction is introduced for an efficient determination of some organophosphorus pesticides including diazinon, malathion, and chlorpyrifos in the environmental samples including the river, sea, and well water. This method is based upon the dispersion of a low‐toxicity organic solvent (dihexyl ether), as the extractant, in a high volume of an aqueous sample solution (45 mL). It is implemented without a centrifugation step, and using a syringe filter and a micro‐funnel, the phase separation and transfer of the enriched analytes to the gas chromatograph are simply achieved. By filtration of the extractant phase, a suitable sample clean‐up is obtained, and the total extraction time is just a few minutes. The factors influencing the extraction efficiency are optimized, and under the optimal conditions, the proposed method provides a good linearity (in the range of 15–1500 ng/mL (R² > 0.996). A high enrichment factor is obtained (in the range of 306–342), and the method provides low limits of detection and quantification (in the ranges of 4–8 and 15–25 ng/mL, respectively).     

Separation Membranes Constructed from Inorganic Nanofibers by Filtration Technique

Nanofibrous materials have been extensively investigated and used as building blocks for various nanodevices, due to their unique one‐dimensional structures. Recently, novel membranes constructed by using nanofibers have been reported by various techniques. Here, we will give a critical review of our recent research on the general solution processed unique sub‐3 nm thin metal hydroxide nanofibers and their application for constructing ultrathin separation membranes via filtration technique. The superior separation performances of these membranes hold the promising future for pressure‐driven membrane separation processes.     

Oil Base Mud. Part I: Synthesis of Some Local Surfactants Used as Primary Emulsifiers for Oil Base Mud and Evaluation of Their Rheology Properties

Six oil soluble nonionic surfactants with different HLBs have been prepared. Their HLBs situate between 3.9 and 6.7. Transesterification was carried out for glycerol and triethanol amine with oleic acid at different moles to obtain six emusilifiers. They named glycerol momooleate (I), glycerol diooleate (II), glycerol trioleate (III), triethanol amine mono-, di- and tri-oleate (IV), (V,) and (VI). The chemical structure was confirmed using; the elemental analysis, FTIR and ¹HNMR. They were evaluated as a primary emulsifiers (PE) for thdrilling fluids (oil base mud) comparing with a currently used primary emulsifier (Fc). The water in oil base mud (w/o emulsions) was prepared. The concentration of emulsifiers and their HLB exhibited interesting rheology properties including shear-thinning behavior, yield value, viscoelastic effects, thixtropy, gel strength, and filtration loss. The rheology properties of such emulsions strongly depended on the average size distribution of the dispersed droplets that could be varied both with the bulk concentration and HLB value of the emulsifiers. The interfacial and surface properties of these emulsifiers suggest that the droplet size of the dispersed phase and bulk concentration are strongly related to the HLB value of emulsifiers. The w/o emulsion (mud formulation) stability is sensitive to the droplet size of the dispersed phase and HLB value of the used emulsifier. The results were discussed on the light the chemical structure of the primary emulsifiers and the emulsion ingredients.     

Characterization of Colloidal Gas Aphron-Fluids Produced from a New Plant-Based Surfactant

Colloidal gas aphrons (CGAs) are gas bubbles with diameters ranging from 10 to 100 microns, generated by intense stirring of a surfactant solution at high speed. The surface activity and aggregation behavior of the surfactant affects the size/size distribution, stability, and other physicochemical properties of generated aphrons. Therefore, selection of a suitable surfactant is important for the generation of microbubbles with the desired properties. The goal of this articleis to investigate the potential use of a new plant-derived surfactant as an aphronizer surfactant in preparation of CGA-based drilling fluids for accomplishing desirable rheological and filtration properties. For this purpose, natural surfactant obtained from leaves of special tree, namely, Zizyphusspina Christi and used for preparation of aphron-based fluids. To achieve the research objectives, laboratory tests of suspension generation, microscopic visualization, initial yield, filtration loss, and rheological characterization with varying concentrations of surfactant and polymer were performed. Experimental results demonstrate that newly proposed biosurfactant has a great potential for application in preparation of CGA-based drilling fluids for implementation in petroleum drilling industry.      

Determination of Some Transition Metals by Atomic Absorption Spectroscopy after Extraction with Pyridine-2-aldehyde-2-quinolylhydrazone

The extraction of pyridine-2-aldehyde-2-quinolylhydrazone chelates of cadmium, cobalt, copper, nickel, and zinc into isoamyl alcohol (IAOL) and methylisobutyl ketone (MIBK) has been investigated as a basis for the determination of these metals. Below pH 6 the extraction is enhanced by the addition of perchlorate, suggesting that charged complexes are being extracted by ion-pair formation. Sensitivities (1% absorption) are reported for IAOL and MIBK solutions of the metals sprayed into an air-acetylene flame. A procedure for the determination of the above metals by atomic absorption spectroscopy after extraction is given. The procedure is applied to the analysis of tap water for cadmium, copper, and zinc.     

Improved methods for the synthesis and isolation of imidazolium based ionic salts

Solvent-free reactions were used for the synthesis of a series of imidazolium-based ionic salts: 3,3′-[pyridine-2,6-diylbis(methylene)]bis(1-R-1H-imidazol-3-ium)chloride; (R = methyl, ethyl, butyl, isobutyl, hexyl, and benzyl). A simple and effective filtration process was used to isolate all the products in high purity and with yields ?93% within a 24 h period. The highly pure ionic compounds which are precursors to N-heterocyclic carbene ligands used in catalysis were fully characterized as gray-white hygroscopic salts.     

Study on the Correlation between the Protein Profile of Lupin Milk and Its Cheese Production Compared with Cow’s Milk

Australian sweet lupin, the largest legume crop grown in Western Australia, is receiving global attention from the producers of new foods. To understand the effect of protein on cheese yield, lupin milk proteins were separated from the first, second, and third filtrations by cheesecloths. However, proteins from the first and second were analyzed using two-dimensional polyacrylamide gel electrophoresis; then, the isolated proteins associated with cheese production were identified. The research also focused on identifying the optimal method of cheese production based on the coagulation process, temperature, yield, and sensory evaluation. Lupin curds from the two cultivars, Mandelup and PBA Jurien, were produced using vinegar, lemon juice, starter culture, vegetable rennet enzyme as coagulant, as well as curd generated using starter culture and vegetable rennet enzyme. Cow’s milk was used as a control. The results indicated that first-time filtration produced better extraction and higher yield of lupin proteins and cheese than the second filtration. A sensory analysis indicated that lupin cheese produced from PBA Jurien lupin milk using vinegar, 7.80% expressed as acetic acid, and ground in 45 °C water, was the most acceptable. The cheeses were examined for their protein, carbohydrates, fat, ash, and moisture contents. The concentration of protein was approximately 27.3% and 20.6%, respectively, in the cheese from PBA Jurien and Mandelup. These results suggest that lupin milk can adequately supply the proteins needed in human diets and, thus, could be used in the production of many existing products that require animal milk as an input.     

Effect of Filtrated Osmotic Solution Based on Concentrated Chokeberry Juice and Mint Extract on the Drying Kinetics,Energy Consumption and Physicochemical Properties of Dried Apples

Background: Filtration of osmotic solution affects selective penetration during osmotic dehydration (OD), and after drying is finished, this can influence the chemical composition of the material, which is also modified by OD. Methods: Osmotic dehydration was carried out in filtrated and non-filtrated concentrated chokeberry juice with the addition of mint infusion. Then, this underwent convective drying, vacuum-microwave drying and combined convective pre-drying, followed by vacuum-microwave finishing drying. Drying kinetics were presented and mathematical models were selected. The specific energy consumption for each drying method was calculated and the energy efficiency was determined. Results and Discussion: The study revealed that filtration of osmotic solution did not have significant effect on drying kinetics; however, it affected selective penetration during OD. The highest specific energy consumption was obtained for the samples treated by convective drying (CD) (around 170 kJ·g⁻¹ fresh weight (fw)) and the lowest for the samples treated by vacuum-microwave drying (VMD) (around 30 kJ·g⁻¹ fw), which is due to the differences in the time of drying and when these methods are applied. Conclusions: Filtration of the osmotic solution can be used to obtain the desired material after drying and the VMD method is the most appropriate considering both phenolic acid content and the energy aspect of drying.