Modern trends in the mathematical simulation of pressure-driven membrane processes

The presented article is an attempt to evaluate the progress in the development of the mathematical simulation of the pressure-driven membrane processes. It was considered more than 170 articles devoted to the simulation of reverse osmosis, nanofiltration, ultrafiltration, and microfiltration and the others published between 2000 and 2010 years. Besides the conventional approaches, which include the irreversible thermodynamics, diffusion and pore flow (and models which consider the membrane surface charge for nanofiltration process), the application of the methods the computational fluid dynamics, artificial neural networks, optimization, and economic analysis have been considered. The main trends in this field have been pointed out, and the areas of using approaches under consideration have been determined. The technological problems which have been solved using the mentioned approaches have also been considered. Although the question of the concentration polarization has not been considered separately, it was defined that, in many cases, the sufficiently accurate model cannot be designed without considering this phenomenon. The findings allow evaluating more thoroughly the development of the simulation of pressure-driven membrane processes. Moreover, the review allows choosing the strategy of the simulation of the considered processes

Interaction of 1,3,2,4-benzodithiadiazines with aromatic phosphines and phosphites

Although an interaction between hydrocarbon and fluorocarbon 1,3,2,4-benzodithiadiazines (1 ) and P(C6H5)3 continuously produces chiral 1,2,3-benzodithiadiazol-2-yl iminophosporanes (2; in this work, 5,7-difluoro derivative 2a ) via 1:1 condensation, an interaction between 1 and other PR3 reagents gives different products. With R [DOUBLE BOND] OC6H5 and both hydrocarbon and fluorocarbon 1, only X=P(OC6H5)3 (X = S, O) were identified in the complex reaction mixtures by 13С and 31Р NMR and GC-MS. With R = C6F5, no interaction with the archetypal 1 was observed but catalytic addition of atmospheric water to the heterocycle afforded 2-amino-N-sulfinylbenzenesulfenamide (4 ). With electrophilic B(C6F5)3 instead of nucleophilic P(C6F5)3, only adduct H3N→B(C6F5)3 and a new polymorph of C6F5B(OH)2 were isolated and identified by X-ray diffraction (XRD). A molecular structure of 2a was confirmed by XRD, and the π-stacked orientation of one of phenyl groups and heterocyclic moiety was observed. This structure is in general agreement with that calculated at the RI-MP2 level of theory, as well as at three different levels of DFT theory with the PBE and B3LYP functionals. Mild thermolysis of 2a in a dilute decane solution gave persistent 5,7-difluoro-1,2,3-benzodithiazolyl (3a ) identified by EPR in combination with DFT calculations

Non-contact registration of respiration by analysis of IR-THz human face images

В работе предложен новый подход к бесконтактной регистрации функции дыхания на основе анализа инфракрасно-терагерцовых изображений лица человека, последовательность которых позволяет визуализировать процессы, происходящие во время дыхания. Для получения количественных оценок функции дыхания предложено два способа. Первый – с использованием зонда, реализующего функцию пространственного дифференцирования, обеспечивает высокую чувствительность, но требует повышенной точности совмещения зонда с носовым отверстием и масштабирования в соответствии с ракурсом съемки. Второй – гистограммный способ получения количественных оценок функции внешнего дыхания – инвариантен к масштабу, не требует точного позиционирования, но при этом обладает меньшей чувствительностью. Предложенные способы позволили дистанционно оценить частоту дыхания, которая коррелирует с данными, полученными контактным методом регистрации функции дыхания. We propose a new approach to non-contact recording of respiratory function based on the analysis of a sequence of Infrared-terahertz images of the human face, allowing the processes that occur during breathing to be visualized. To obtain quantitative estimates of the respiratory function, two methods are proposed. The first one utilizes a probe which implements the function of spatial differentiation and provides high sensitivity, but requires an increased accuracy of positioning the probe at the nasal opening and scaling in accordance with the camera angle. The other one is a histogram method for obtaining quantitative estimates of the external respiratory function, which is scale invariant and does not require precise positioning, but has a lower sensitivity compared to the first one. The methods proposed have made it possible to remotely evaluate the respiratory rate, which correlates well with the data obtained by a contact method of respiratory function registration.Исследование выполнено при частичной поддержке РФФИ (грант № 17-29-02487) и частичной поддержке Министерства науки и высшего образования (проект №0748-2020-0012) в рамках выполнения работ по Государственному заданию ФНИЦ «Кристаллография и фотоника» РАН с использованием оборудования, приобретенного за счет средств «Программы развития Московского государственного университета имени М.В. Ломоносова до 2020 года», при поддержке Междисциплинарной научно-образовательной школы Московского университета «Фотонные и квантовые технологии. Цифровая медицина»