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Abstract: Cellulose is the most abundant biopolymer which is a topic of extensive research work. In this study Fourier Transform Infrared Spectroscopy (FTIR) was utilized to assign the molecular structure of cellulose. B3LYP at 3-21g**, 6-31g** and LANL1DZ then MP2 at 6-31g* levels of theories were conducted to compare the calculated vibrational spectra with the FTIR spectrum. Model molecules of cellulose starting with monomer up to cellulose 18 units were studied with PM3 semiemperical method in order to follow up the effect of polymerization upon some selected physical parameters. Results indicate that final heat of formation and band gap energy have decreased with increasing cellulose units while total dipole moment has increased with increasing cellulose units. It is concluded that the reactivity of cellulose has increased with increasing the units also the unique hydrogen bonding dedicates cellulose to several applications. Keywords: Cellulose, FTIR, PM3, DFT and Physical propertie.Download Full Article  | 
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Abstract: In this article given the mathematical modeling of energy-intensive substances obtaining, which allows expanding the resource base, providing the possibility of using various binary hydrides in the process of aluminum hydride - AlH3 synthesis. Due to the absence of soluble hydride forms of binary hydrides of alkaline-earth (MH2) metals, it is necessary to carry out at least 4-6 steps of the process for the production of aluminum hydride. Polynomials for the programmed synthesis of AlH3 with autoinitiation have been developed. A programmed synthesis of aluminum hydride with autoinitiation was developed and implemented, which allows expanding the raw material base enabling the synthesis of other metal hydrides.  | 
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Abstract: The paper presents an overview of original inventions, development and experimental results by the group of authors in the area of multi-reflecting time-of-flight mass spectrometry with Folded Flight Path (FFP®) (MR-TOFMS) with main focus on multiplexing methods for improving the analysis throughput, i.e. the amount of information per time unit. MR-TOF provides panoramic spectra (virtue of TOFMS), while significantly enhancing resolving power, thus, providing yet more information. Resolving power R=500,000 is demonstrated to resolve isobars and to improve mass accuracy to sub-ppm level. Encoded Frequent Pulsing (EFPTM) method improves sensitivity, expands dynamic range and opens multiple incarnations of parallel and fast tandem methods of analysis based on using ion traps, TOFMS and ion mobility for rapid and lossless parent ion separations. Keywords: Multi-reflecting TOF, multiplexing, N-dimensional separations, high throughput.  | 
 Modified Poly(ethylene terephthalate) Nano Fibers for Removal of Copper(II) Ions - Pages 1-6Fariborz Azizinezhad DOI: https://doi.org/10.6000/1929-5030.2019.08.01 Published: 20 September 2019  | 
Abstract: In this research, the adsorption of Cu2+ ions from aqueous solution was investigated by the modified poly (ethylene terephthalate) fibers as a new adsorbent. The best condition of electrospinning was recorded (voltage= 10 kV – distance from nozzle= 12.5 cm – solution convcentration= 0.2 g/mL). The optimum condition for removal of Cu2+ ions were determined (pH=10 – time= 60 min - C= 120 mg/L, qm = 62.4 mg/g). The adsorption data were best fitted by dubinin-radushkevich isotherm and pseudo-second order kinetic models, as well. Structure of the nanofibers were emphasized by scanning electron microscpy (SEM) and thermo gravimetric analysis (TGA).  | 
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Abstract: In modeling the regions of precipitation and formation of thin films, we used four conditions: 1. The rule of solubility product; 2. The rule of molecular solubility; 3. The rule of solubility by intermediate; 4. Condition of precipitate of priority. This technique was used to build mathematical models of equilibriums from the pH of solution, concentration of reactants, and temperature. Mathematical models were also developed on the basis of experimental data obtained by potentiometry, residual concentration, thermogravimetry, etc. This model considers fluctuations of the pH of solution and predicts the chemical composition of compounds. It has been demonstrated that in synthesizing target compounds, the possibility of processes of fluctuations must be taken into account. A systemic mathematical model has been designed to optimize the synthesis of thin films and target compounds. Keywords: Mathematical modelling of equilibriums; conditions of saturation of aqueous solutions; the thin films of the lead sulfide.Download Full Article  | 


