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Artigos de revistas sobre o tema "Molecular separation"

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Autor: Grafiati

Publicado: 8 de junho de 2024

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1

Zhang, Ruike, e Jiong Zhou. "Ultrafast-adsorption-kinetics molecular sieving of propylene from propane". Clean Energy Science and Technology 2, n.º 2 (20 de março de 2024): 126. http://dx.doi.org/10.18686/cest.v2i2.126.

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The separation of propylene (C3H6) and propane (C3H8) is very costly due to similar physical-chemical properties and has been listed as one of the seven chemical separations to change the world. High-purity C3H6 is an important raw material to produce polypropylene and acrylonitrile. However, C3H8 is produced as a by-product in the production process of C3H6, which has a similar structure and boiling point as those of C3H6. Traditionally, the separation of C3H6 and C3H8 by distillation has high energy consumption and an unremarkable separation effect. Therefore, there is an urgent need to develop more energy-saving and efficient methods for the separation of C3H6 and C3H8.

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2

Wang, Wenhui, Zheng Li, Chunli Song, Jie Yang e Yingwei Yang. "Separation of Low-Molecular-Weight Organics by Water-Soluble Macrocyclic Arenes". Molecules 27, n.º 23 (5 de dezembro de 2022): 8554. http://dx.doi.org/10.3390/molecules27238554.

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In this study, we fabricate a series of water-soluble anionic macrocyclic arenes, including pillar[5]arene (WP5), pillar[6]arene (WP6), leaning pillar[6]arene (WLT6), and biphenyl-extended pillar[6]arene (WBpP6), which show different separation capabilities toward low-molecular-weight organics, such as short chain haloalkanes, cyclic aliphatics, and aromatics, in water. The liquid–liquid distribution experiments are carried out at room temperature. The separation factor for low-molecular-weight organics is evaluated in the extraction of equimolar mixtures. WP6 demonstrates a high extraction efficiency of up to 89% in separating toluene/methylcyclohexane mixtures. These adsorbents also have the advantages of rapid adsorption, high separation efficiency, remarkable selectivity, and good recyclability. This work not only expands the application scope of macrocyclic chemistry, but also has practical research value for organics separation and water purification.

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3

Bashmmakh, Bandar J., Xiaoyu Wang, Cynthia J. Jameson e Sohail Murad. "Understanding Separation Mechanisms of Monoatomic Gases, Such as Kr and Xe, via DD3R Zeolite Membrane Using Molecular Dynamics". Thermo 2, n.º 1 (23 de fevereiro de 2022): 56–73. http://dx.doi.org/10.3390/thermo2010005.

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Noble gas fission byproducts, such as Kr and Xe, are generated within nuclear power reactors are currently being discharged into the atmosphere. This practice has a major economic drawback because of the high value associated with some of these gases. The separations of these gases are economically prohibitive because of the high energy requirement associated with cryogenic distillation. Zeolites, nanoporous materials suitable for gas separation processes, have exhibited high selectivity for such separations. We have used nonequilibrium molecular dynamics (MD) to investigate the separation performance of DD3R framework zeolitic membrane. The effects of pressure, temperature, and pure vs. mixture gas feed conditions are studied in this work to understand and explain, at the molecular level, the mechanisms of these (Kr/Xe) separations. Our studies have shown that the DD3R membrane shows promise for high selectivity ratios of Kr over Xe. MD runs show agreement with experimental trends of the permeation of Kr/Xe pure and mixed gases using DD3R zeolite with high separation factor. Despite the absence of Xe complete permeation through the membrane because of MD timescale limitations, our results are sufficient to describe the mechanisms of these separations.

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4

Yuan, Lixia, Ji Yang, Fujun Du, Xunchuan Liu, Yang Su, Qing-Zeng Yan, Xuepeng Chen et al. "On the Spatial Distribution of ¹³CO Structures within ¹²CO Molecular Clouds". Astrophysical Journal 944, n.º 1 (1 de fevereiro de 2023): 91. http://dx.doi.org/10.3847/1538-4357/acac26.

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Abstract We look into the 2851 12CO molecular clouds harboring 13CO structures to reveal the distribution of the projected angular separations and radial velocity separations between their internal 13CO structures. The projected angular separations are determined using the minimal spanning tree algorithm. We find that ∼50% of the angular separations fall in a narrow range of ∼3′–7′ with a median of ∼5′, and the corresponding radial velocity separations mainly range from ∼0.3 to 2.5 km s−1. The mean and standard deviation of the angular separations of the internal 13CO structures within 12CO clouds appear to be universal, independent of the 12CO cloud angular areas and the counts of their internal 13CO structures. We also reveal a scaling relation between the 12CO cloud angular area and its harbored 13CO structure count. These results suggest there is a preferred angular separation between 13CO structures in these 12CO clouds, considering the distance effects. According to that, we propose an alternative picture for the assembly and destruction of molecular clouds: there is a fundamental separation for the internal structures of molecular clouds, the build-up and destruction of molecular clouds proceeds under this fundamental unit.

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5

Sun, Na, Shi-Qiang Wang, Ruqiang Zou, Wen-Gang Cui, Anqi Zhang, Tianzhen Zhang, Qi Li et al. "Benchmark selectivity p-xylene separation by a non-porous molecular solid through liquid or vapor extraction". Chemical Science 10, n.º 38 (2019): 8850–54. http://dx.doi.org/10.1039/c9sc02621e.

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Solid–liquid separation of similarly sized organic molecules utilizing sorbents offers the potential for new energy-efficient approaches to a number of important industrial separations such as xylenes (C8) separations.

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6

Lin, J. Y. S. "Molecular sieves for gas separation". Science 353, n.º 6295 (7 de julho de 2016): 121–22. http://dx.doi.org/10.1126/science.aag2267.

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7

Arash, Behrouz, e Quan Wang. "Molecular separation with carbon nanotubes". Computational Materials Science 90 (julho de 2014): 50–55. http://dx.doi.org/10.1016/j.commatsci.2014.04.012.

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8

Greibrokk, Tyge, e Börje Sellergren. "Molecular imprinting in Separation Science". Journal of Separation Science 32, n.º 19 (23 de setembro de 2009): 3263–64. http://dx.doi.org/10.1002/jssc.200990072.

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9

Greibrokk, Tyge. "Molecular Imprinting in Separation Science". Journal of Separation Science 39, n.º 5 (março de 2016): 815–17. http://dx.doi.org/10.1002/jssc.201670054.

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10

Parvin, P., B. Sajad, K. Silakhori, M. Hooshvar e Z. Zamanipour. "Molecular laser isotope separation versus atomic vapor laser isotope separation". Progress in Nuclear Energy 44, n.º 4 (janeiro de 2004): 331–45. http://dx.doi.org/10.1016/j.pnueene.2004.07.002.

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11

Ryu, Je-Kyung, Da-Eun Hwang e Jeong-Mo Choi. "Current Understanding of Molecular Phase Separation in Chromosomes". International Journal of Molecular Sciences 22, n.º 19 (4 de outubro de 2021): 10736. http://dx.doi.org/10.3390/ijms221910736.

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Biomolecular phase separation denotes the demixing of a specific set of intracellular components without membrane encapsulation. Recent studies have found that biomolecular phase separation is involved in a wide range of cellular processes. In particular, phase separation is involved in the formation and regulation of chromosome structures at various levels. Here, we review the current understanding of biomolecular phase separation related to chromosomes. First, we discuss the fundamental principles of phase separation and introduce several examples of nuclear/chromosomal biomolecular assemblies formed by phase separation. We also briefly explain the experimental and computational methods used to study phase separation in chromosomes. Finally, we discuss a recent phase separation model, termed bridging-induced phase separation (BIPS), which can explain the formation of local chromosome structures.

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12

Ye, Kexi, Shufang Xu, Qingqing Zhou, Sitao Wang, Zhigang Xu e Zhimin Liu. "Advances in Molecular Imprinting Technology for the Extraction and Detection of Quercetin in Plants". Polymers 15, n.º 9 (28 de abril de 2023): 2107. http://dx.doi.org/10.3390/polym15092107.

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Quercetin is a kind of flavonoid compound, which has antioxidative, anti-aging and anti-cancer effects, so it is of great importance to study the efficient extraction and highly sensitive detection of quercetin. Molecular imprinting technology has remarkable selectivity and resistance to complex matrix interference, which is often used for extracting quercetin. The methods of molecular imprinted solid phase extraction, molecularly imprinted microsphere extraction, molecularly imprinted electrochemical sensor recognition and molecularly imprinted composite material extraction of quercetin from plant samples were discussed in detail. This review provides valuable information on efficient and sensitive methods for separating and purifying quercetin in plants. It also provides a technical reference for further investigation of the separation and analysis of active ingredients in natural products.

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13

Kawamoto, Naoki, Yongxing Hu, Yutaka Kuwahara, Hirotaka Ihara e Makoto Takafuji. "A Molecular Shape Recognitive HPLC Stationary Phase Based on a Highly Ordered Amphiphilic Glutamide Molecular Gel". Nanomaterials 11, n.º 6 (15 de junho de 2021): 1574. http://dx.doi.org/10.3390/nano11061574.

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Chiral glutamide-derived lipids form self-assembled fibrous molecular gels that can be used as HPLC organic phases. In this study, HPLC separation efficiency was improved through the addition of branched amphiphilic glutamide lipids to the side chains of a terminally immobilized flexible polymer backbone. Poly(4-vinylpyridine) with a trimethoxysilyl group at one end was grafted onto the surface of porous silica particles (Sil−VP15, polymerization degree = 15), and the pyridyl side chains were quaternized with a glutamide lipid having a bromide group (BrG). Elemental analysis indicated that the total amount of the organic phase of the prepared stationary phase (Sil−VPG15) was 38.0 wt%, and the quaternization degree of the pyridyl groups was determined to be 32.5%. Differential scanning calorimetric analysis of a methanol suspension of Sil−VPG15 indicated that the G moieties formed a highly ordered structure below the phase transition temperature even on the silica surface, and the ordered G moieties exhibited a gel-to-liquid crystalline phase transition. Compared with a commercially available octadecylated silica column, the Sil−VPG15 stationary phase showed high selectivity toward polycyclic aromatic hydrocarbons, and particularly excellent separations were obtained for geometrical and positional isomers. Sil−VPG15 also showed highly selective separation for phenol derivatives, and bio-related molecules containing phenolic groups such as steroids were successfully separated. These separation abilities are probably due to multiple interactions between the elutes and the highly ordered functional groups, such as the pyridinium and amide groups, on the highly ordered molecular gel having self-assembling G moieties.

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14

Lau, Cher Hon, Donald R. Paul e Tai Shung Chung. "Molecular design of nanohybrid gas separation membranes for optimal CO2 separation". Polymer 53, n.º 2 (janeiro de 2012): 454–65. http://dx.doi.org/10.1016/j.polymer.2011.12.011.

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15

Li, Changxuan, e Xiaofeng Fang. "Phase Separation as a Molecular Thermosensor". Developmental Cell 55, n.º 2 (outubro de 2020): 118–19. http://dx.doi.org/10.1016/j.devcel.2020.09.019.

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16

Eliseev, Andrei A., Irina V. Kolesnik, Alexey V. Lukashin, Roman B. Vasiliev e Yuri D. Tretyakov. "Nanoparticle separation by mesoporous molecular sieves". Mendeleev Communications 14, n.º 4 (janeiro de 2004): 173–74. http://dx.doi.org/10.1070/mc2004v014n04abeh001972.

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17

Huang, Liang, Miao Zhang, Chun Li e Gaoquan Shi. "Graphene-Based Membranes for Molecular Separation". Journal of Physical Chemistry Letters 6, n.º 14 (8 de julho de 2015): 2806–15. http://dx.doi.org/10.1021/acs.jpclett.5b00914.

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18

Kikuchi, K., N. Nakahara, T. Wakabayashi, S. Suzuki, K. Saito, I. Ikemoto e Y. Achiba. "Higher fullerenes; separation and molecular structures". Synthetic Metals 56, n.º 2-3 (abril de 1993): 3208–13. http://dx.doi.org/10.1016/0379-6779(93)90104-5.

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19

Feil, Herman, You Han Bae, Jan Feijen e Sung Wan Kim. "Molecular separation by thermosensitive hydrogel membranes". Journal of Membrane Science 64, n.º 3 (dezembro de 1991): 283–94. http://dx.doi.org/10.1016/0376-7388(91)80099-r.

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20

Kochmann, Sven, e Sergey N. Krylov. "Quantitative Characterization of Molecular-Stream Separation". Analytical Chemistry 90, n.º 15 (3 de julho de 2018): 9504–9. http://dx.doi.org/10.1021/acs.analchem.8b02186.

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21

Komatsu, Naoki. "Separation of nanocarbons by molecular recognition". Journal of Inclusion Phenomena and Macrocyclic Chemistry 61, n.º 3-4 (4 de março de 2008): 195–216. http://dx.doi.org/10.1007/s10847-008-9418-4.

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22

Akagi, H., H. Ohba, K. Yokoyama, A. Yokoyama, K. Egashira e Y. Fujimura. "Rotational-coherence molecular laser isotope separation". Applied Physics B 95, n.º 1 (3 de março de 2009): 17–21. http://dx.doi.org/10.1007/s00340-009-3453-8.

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23

Zhou, Jiawang, Sravan K. Surampudi, Arthur E. Bragg e Rebekka S. Klausen. "Photoinduced Charge Separation in Molecular Silicon". Chemistry - A European Journal 22, n.º 18 (9 de março de 2016): 6204–7. http://dx.doi.org/10.1002/chem.201600846.

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24

Pardeshi, Sushma, Anupama Kumar e Rita Dhodapkar. "Molecular Imprinting: Mimicking Molecular Receptors for Antioxidants". Materials Science Forum 675-677 (fevereiro de 2011): 515–20. http://dx.doi.org/10.4028/www.scientific.net/msf.675-677.515.

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Molecularly imprinted polymers (MIPs) have been demonstrated to be a promising class of biomimetic materials that can be tailored to meet specific end use recognition requirements. Molecular imprinting is achieved by the interaction, either covalent or non-covalent between complementary groups in a template molecule and functional monomer units through polymerization. MIPs have been widely employed for divers applications such as chiral separation, chemical sensing, catalysis, drug screening, chromatographic separations and solid phase extraction. During respiration and metabolism, human body produce free radicals as by products, which can damage genetic material, lipids and proteins leading to several fatal diseases such as Cancer, Cardio-vascular disease, Alzheimer’s disease, Immune dysfunction etc. Antioxidants define a family of natural or synthetic nutrients in food, which acts as free radical scavengers. They are present in complex matrix such as herbs, fruit pulp in small concentration, either combined or in free form. Although several techniques have been developed for their detection, (e.g. HPLC, Thin layer chromatography, Capillary gas chromatography, Supercritical fluid chromatography), to achieve highly specific and sensitive analysis, high affinity, stable and specific recognition agents are needed. In this review, special attention is paid to the MIPs based analytical methods for antioxidants, focusing on solid phase extraction, chromatographic and non chromatographic separations and sensing approaches as well as on novel approaches for the discovery of new imprinted materials for antioxidants.

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25

Yu, Liang, Yatao Zhang, Haoqin Zhang e Jindun Liu. "Development of a molecular separation membrane for efficient separation of low-molecular-weight organics and salts". Desalination 359 (março de 2015): 176–85. http://dx.doi.org/10.1016/j.desal.2014.12.044.

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26

A.A. Kittur. "MFI Zeolite Membranes and PV Separation of Isopropanol-Water Azeotropic Mixtures". International Research Journal on Advanced Engineering and Management (IRJAEM) 2, n.º 03 (16 de março de 2024): 299–306. http://dx.doi.org/10.47392/irjaem.2024.0044.

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Membrane separation process has become one of the emerging technologies that undergo a rapid growth since few decades. Pervaporation (PV) is one among the membrane separation processes which gained foremost interest in the chemical and allied industries. It is an effective and energy-efficient technology that carries out separations, which are difficult to achieve by conventional separation processes. Inorganic membranes such as zeolite membranes with uniform, molecular-sized pores, selective adsorption and molecular sieving action offer unique type of pervaporation membrane for a number of separation processes. This paper presents the role of MFI-zeolite membrane and its progress in the pervaporation process. The fundamental aspects of pervaporation over different types of membranes are reviewed and compared. The focus of this paper is on zeolite membrane synthesis, membrane characterization and pervaporation studies. The transport mechanism during pervaporation is discussed and the issues related with pervaporation are addressed. Innovation and future development of zeolite membrane in pervaporation are also presented.

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27

Hasegawa, Yasuhisa, Mayumi Natsui, Chie Abe, Ayumi Ikeda e Sean-Thomas B. Lundin. "Estimation of CO2 Separation Performances through CHA-Type Zeolite Membranes Using Molecular Simulation". Membranes 13, n.º 1 (3 de janeiro de 2023): 60. http://dx.doi.org/10.3390/membranes13010060.

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Chabazite (CHA)-type zeolite membranes are a potential material for CO2 separations because of their small pore aperture, large pore volume, and low aluminum content. In this study, the permeation and separation properties were evaluated using a molecular simulation technique with a focus on improving the CO2 separation performance. The adsorption isotherms of CO2 and CH4 on CHA-type zeolite with Si/Al = 18.2 were predicted by grand canonical Monte Carlo, and the diffusivities in zeolite micropores were simulated by molecular dynamics. The CO2 separation performance of the CHA-type zeolite membrane was estimated by a Maxwell–Stefan equation, accounting for mass transfer through the support tube. The results indicated that the permeances of CO2 and CH4 were influenced mainly by the porosity of the support, with the CO2 permeance reduced due to preferential adsorption with increasing pressure drop. In contrast, it was important for estimation of the CH4 permeance to predict the amounts of adsorbed CH4. Using molecular simulation and the Maxwell–Stefan equation is shown to be a useful technique for estimating the permeation properties of zeolite membranes, although some problems such as predicting accurate adsorption terms remain.

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28

Marshall, Bennett D., Wenjun Li e Ryan P. Lively. "Dry Glass Reference Perturbation Theory Predictions of the Temperature and Pressure Dependent Separations of Complex Liquid Mixtures Using SBAD-1 Glassy Polymer Membranes". Membranes 12, n.º 7 (12 de julho de 2022): 705. http://dx.doi.org/10.3390/membranes12070705.

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In this work we apply dry glass reference perturbation theory (DGRPT) within the context of fully mutualized diffusion theory to predict the temperature and pressure dependent separations of complex liquid mixtures using SBAD-1 glassy polymer membranes. We demonstrate that the approach allows for the prediction of the membrane-based separation of complex liquid mixtures over a wide range of temperature and pressure, using only single-component vapor sorption isotherms measured at 25 °C to parameterize the model. The model was then applied to predict the membrane separation of a light shale crude using a structure oriented lumping (SOL) based compositional model of petroleum. It was shown that when DGRPT is applied based on SOL compositions, the combined model allows for the accurate prediction of separation performance based on the trend of both molecular weight and molecular class.

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29

Moyer, Bruce A., Radu Custelcean, Benjamin P. Hay, Jonathan L. Sessler, Kristin Bowman-James, Victor W. Day e Sung-Ok Kang. "A Case for Molecular Recognition in Nuclear Separations: Sulfate Separation from Nuclear Wastes". Inorganic Chemistry 52, n.º 7 (7 de novembro de 2012): 3473–90. http://dx.doi.org/10.1021/ic3016832.

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30

Ahmad, Fatin Nurwahdah, Norazlianie Sazali e Mohd Hafiz Dzafran Othman. "A Mini Review on Carbon Molecular Sieve Membrane for Oxygen Separation". Journal of Modern Manufacturing Systems and Technology 4, n.º 1 (27 de março de 2020): 23–35. http://dx.doi.org/10.15282/jmmst.v4i1.3800.

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Membrane-based technology has proved its practicality in gas separation through its performance. Various type of membranes has been explored, showing that each type of them have their own advantages and disadvantages. Polymeric membranes have been widely used to separate O2/N2, however, its drawbacks lead to the development of carbon molecular sieve membrane. Carbon molecular sieve membranes have demonstrated excellent separation performance for almost similar kinetic diameter molecules such as O2/N2. Many polymer precursors can be used to produce carbon molecular sieve membrane through carbonization process or also known as heat treatment. This paper discusses the variety of precursors and carbonization parameters to produce high quality and performance of carbon molecular sieve membranes. This paper covers the evaluation in advancement and status of high-performance carbon membrane implemented for separating gas, comprising the variety of precursor materials and the fabrication process that involve many different parameters, also analysis of carbon membranes properties in separating various type of gas having high demand in the industries. The issues regarding the current challenges in developing carbon membrane and approaches with the purpose of solving and improving the performance and applications of carbon membrane are included in this paper. Also, the advantages of the carbon membrane compared to other types of membranes are highlighted. Observation and understanding the variables affecting the quality of membrane encourage the optimization of conditions and techniques in producing high-performance membrane.

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31

Mohammad R. Gharibzahedi, Sayyed, e Javad Karimi-Sabet. "Gas Separation in Nanoporous Graphene from Molecular Dynamics Simulation". Chemical Product and Process Modeling 11, n.º 1 (1 de março de 2016): 29–33. http://dx.doi.org/10.1515/cppm-2015-0059.

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Abstract Membrane separation processes are energetically efficient compared to the other techniques such as cryogenic distillation and gas adsorption techniques. It is well known that a membrane's permeance is inversely proportional to its thickness. Regard to its single atom thickness and its mechanical strength, nanoporous graphene has been proposed as a very promising candidate for highly efficient gas separation applications. In this work, using classical molecular dynamics, we report the separation performance of such membrane in a molecular-sieving process as a function of pore size and chemical functionalization of pore rim. To investigate the membrane separation capability, we have calculated the permeance of each gas molecule of the considered binary mixtures through the membranes and therefore the separation selectivity. We investigated the separation performance of nanoporous graphene for CO2/N2, H2/CH4 and He/CH4 with 50:50 proportions of each component and the separation selectivity has been calculated. We also calculated the potential of the mean force to characterize the energy profile for gas transmission. The separation selectivity reduced by increasing the pore size. However, presence of chemical functionally pores in the membrane increased the separation selectivity. Furthermore, the gas permeance through nanoporous graphene membranes is related not only to transport rate to the graphene surface as well as kinetic diameters but also to molecular adsorbed layer which is formed on the surface. The flux of molecules through the nanopores is also dependent on pore chemistry which is considered as gas-pore interactions in the molecular simulations and can be a sizable factor in simulation in contrast to experimental observations. This study suggests that nanoporous graphene could represent a suitable membrane for gas separation.

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32

Kosińska, A., ChavanUD e R. Amarowicz. "Separation of low molecular weight rapeseed proteins by RP-HPLC-DAD – a short report". Czech Journal of Food Sciences 24, No. 1 (9 de novembro de 2011): 41–44. http://dx.doi.org/10.17221/3292-cjfs.

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Low molecular weight proteins were extracted and isolated from rapeseed and analysed using the HPLC-DAD method. The separation of proteins and phenolic compounds was done on the reversed phase C<sub>18</sub> column with a gradient of acetonitrile in water. The chromatogram was characterised by two peaks of low molecular weight proteins with the retention times of 19.92 and 23.24 min. Additional three main peaks of phenolic constituents were recorded on the chromatogram. One of them with maximum of UV spectrum at 328 nm was identified as sinapic acid derivatives.

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33

Yu, Raymond B., e Joselito P. Quirino. "Chiral Selectors in Capillary Electrophoresis: Trends During 2017–2018". Molecules 24, n.º 6 (21 de março de 2019): 1135. http://dx.doi.org/10.3390/molecules24061135.

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Chiral separation is an important process in the chemical and pharmaceutical industries. From the analytical chemistry perspective, chiral separation is required for assessing the fit-for-purpose and the safety of chemical products. Capillary electrophoresis, in the electrokinetic chromatography mode is an established analytical technique for chiral separations. A water-soluble chiral selector is typically used. This review therefore examines the use of various chiral selectors in electrokinetic chromatography during 2017–2018. The chiral selectors were both low and high (macromolecules) molecular mass molecules as well as molecular aggregates (supramolecules). There were 58 papers found by search in Scopus, indicating continuous and active activity in this research area. The macromolecules were sugar-, amino acid-, and nucleic acid-based polymers. The supramolecules were bile salt micelles. The low molecular mass selectors were mainly ionic liquids and complexes with a central ion. A majority of the papers were on the use or preparation of sugar-based macromolecules, e.g., native or derivatised cyclodextrins. Studies to explain chiral recognition of macromolecular and supramolecular chiral selectors were mainly done by molecular modelling and nuclear magnetic resonance spectroscopy. Demonstrations were predominantly on drug analysis for the separation of racemates.

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34

Thonhauser, Timo. "(Invited) Metal Organic Frameworks for the Storage, Separation, and Purification of Gaseous Fuels". ECS Meeting Abstracts MA2023-01, n.º 37 (28 de agosto de 2023): 2166. http://dx.doi.org/10.1149/ma2023-01372166mtgabs.

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We have seen a surge of interest in metal organic frameworks (MOFs) over the past decades with more than 100,000 structures reported today. This interest is based on the modular building-block nature of their structure, which makes them tunable and widely applicable to many applications. Of particular interest is the storage, separation, and purification of gaseous fuels with MOFs as a much-needed alternative to the energy-intense processes currently in use. My talk will focus on results of a variety of MOFs that have been obtained by a close integration of synthesis, in situ vibrational spectroscopy, and ab initio materials modeling. In particular, we report on the development and characterization of four MOFs for the purpose of separating linear, mono, and dibranched alkane isomers through selective molecular sieving, which is of significant value in the petrochemical industry. The separation of such alkane isomers is a challenging and important industrial process for the production of premium gasoline, blending components with high research octane number. I will also show recent results that point towards non-standard kinetics in certain separation processes in MOFs as well as results for ultramicroporous MOFs that have the ability to effectively perform separations in the presence of water.

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35

Borg, Matthew K., Duncan A. Lockerby e Jason M. Reese. "A hybrid molecular–continuum method for unsteady compressible multiscale flows". Journal of Fluid Mechanics 768 (10 de março de 2015): 388–414. http://dx.doi.org/10.1017/jfm.2015.83.

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We present an internal-flow multiscale method (‘unsteady-IMM’) for compressible, time-varying/unsteady flow problems in nano-confined high-aspect-ratio geometries. The IMM is a hybrid molecular–continuum method that provides accurate flow predictions at macroscopic scales because local microscopic corrections to the continuum-fluid formulation are generated by spatially and temporally distributed molecular simulations. Exploiting separation in both time and length scales enables orders of magnitude computational savings, far greater than seen in other hybrid methods. We apply the unsteady-IMM to a converging–diverging channel flow problem with various time- and length-scale separations. Comparisons are made with a full molecular simulation wherever possible; the level of accuracy of the hybrid solution is excellent in most cases. We demonstrate that the sensitivity of the accuracy of a solution to the macro–micro time-stepping, as well as the computational speed-up over a full molecular simulation, is dependent on the degree of scale separation that exists in a problem. For the largest channel lengths considered in this paper, a speed-up of six orders of magnitude has been obtained, compared with a notional full molecular simulation.

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Li, Xiao, Yu Wen Guo, Jiu Li Ruan, Qi Qiao e Jian Qiang Zhang. "Impacts of Different Wetting Agents on the Density Separation of Waste Plastic Mixtures". Applied Mechanics and Materials 768 (junho de 2015): 418–25. http://dx.doi.org/10.4028/www.scientific.net/amm.768.418.

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As the effect of density separation for waste plastic mixtures was poor, this research studied the impacts of wetting agents on the sorting rates of waste plastic mixtures and the mechanisms of wetting agents in density separation. The results showed that the surface activity of plastics could be changed by wetting agents and thus the sorting rates of plastics under the density separation system could be improved. Impacts of wetting agents such as CaLS, NP-7 and MC on density separation of plastics are related not only to the molecular structure of plastic materials but also to the separating media. The density separation system in the presence of different wetting agents established in this research separated the target plastic with a rate of 100%, which applied to a mixture of 9 kinds of common plastics such as PVC, PC, PS and so on.

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Guo, Xiangyu, Shanshan Xu, Yuxiu Sun, Zhihua Qiao, Hongliang Huang e Chongli Zhong. "Metal-organic polyhedron membranes for molecular separation". Journal of Membrane Science 632 (agosto de 2021): 119354. http://dx.doi.org/10.1016/j.memsci.2021.119354.

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Acquah, Caleb, Eugene Obeng, Dominic Agyei, Clarence Ongkudon, Charles Moy e Michael Danquah. "Nano-Doped Monolithic Materials for Molecular Separation". Separations 4, n.º 1 (1 de janeiro de 2017): 2. http://dx.doi.org/10.3390/separations4010002.

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HARAYA, KENJI. "Carbon Molecular Sieve Membrane for Gas Separation." FIBER 56, n.º 1 (2000): P.20—P.24. http://dx.doi.org/10.2115/fiber.56.p_20.

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de Mendoza, J., E. Huerta, G. Metselaar, A. Fragoso, E. Santos e C. Bo. "Self-Assembled Molecular Capsules for C70 Separation". Synfacts 2007, n.º 3 (março de 2007): 0275. http://dx.doi.org/10.1055/s-2007-968208.

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KATAOKA, KAZUNORI. "Molecular Design of Materials for Cell Separation". Sen'i Gakkaishi 42, n.º 6 (1986): P213—P221. http://dx.doi.org/10.2115/fiber.42.6_p213.

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Taylor, Ken. "New use for high Tcs: molecular separation". Physics World 2, n.º 7 (julho de 1989): 22–23. http://dx.doi.org/10.1088/2058-7058/2/7/19.

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ONO, Shigeki. "GPC Separation of High Molecular Weight Polyacrylamide." KOBUNSHI RONBUNSHU 49, n.º 5 (1992): 467–69. http://dx.doi.org/10.1295/koron.49.467.

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Li, Jian, Xin Li e Bart Van der Bruggen. "An MXene-based membrane for molecular separation". Environmental Science: Nano 7, n.º 5 (2020): 1289–304. http://dx.doi.org/10.1039/c9en01478k.

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Oh-Ishi, Masamichi, e Tadakazu Maeda. "Separation techniques for high-molecular-mass proteins". Journal of Chromatography B 771, n.º 1-2 (maio de 2002): 49–66. http://dx.doi.org/10.1016/s1570-0232(02)00112-5.

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Platten, J. K., M. M. Bou-Ali e J. F. Dutrieux. "Enhanced Molecular Separation in Inclined Thermogravitational Columns". Journal of Physical Chemistry B 107, n.º 42 (outubro de 2003): 11763–67. http://dx.doi.org/10.1021/jp034780k.

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Rezakazemi, Mashallah, Amir Mosavi e Saeed Shirazian. "ANFIS pattern for molecular membranes separation optimization". Journal of Molecular Liquids 274 (janeiro de 2019): 470–76. http://dx.doi.org/10.1016/j.molliq.2018.11.017.

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Chen, Shui-Li, e Zheng-Xing Wu. "Urysohn separation property in topological molecular lattices". Fuzzy Sets and Systems 123, n.º 2 (outubro de 2001): 177–84. http://dx.doi.org/10.1016/s0165-0114(00)00115-9.

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Jelen, P. "Membrane filtration and related molecular separation technologies". International Dairy Journal 12, n.º 1 (janeiro de 2002): 81. http://dx.doi.org/10.1016/s0958-6946(01)00167-4.

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Tin, Pei Shi, Huey Yi Lin, Rui Chin Ong e Tai-Shung Chung. "Carbon molecular sieve membranes for biofuel separation". Carbon 49, n.º 2 (fevereiro de 2011): 369–75. http://dx.doi.org/10.1016/j.carbon.2010.09.031.

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