Tesi sul tema "Molecular separation"
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Chagger, Harnit Kaur. "Carbon molecular sieves for air separation". Thesis, University of Newcastle Upon Tyne, 1994. http://hdl.handle.net/10443/851.
Briceño, Mejías Kelly Cristina. "Carbon molecular sieve membranes for gas separation". Doctoral thesis, Universitat Rovira i Virgili, 2012. http://hdl.handle.net/10803/145378.
Klimczyk, Malgorzata. "Separation of hexane isomers using molecular sieves". Thesis, De Montfort University, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.697435.
Luo, H. "A molecular dynamic study of molecular gas separation for clean energy applications". Thesis, University College London (University of London), 2016. http://discovery.ucl.ac.uk/1532033/.
Kulkarni, Amit. "Reaction induced phase-separation controlled by molecular topology.*". Cincinnati, Ohio : University of Cincinnati, 2004. http://www.ohiolink.edu/etd/view.cgi?acc%5Fnum=ucin1108001435.
Triebe, Robert W. "Separation and purification of gases with molecular sieves". Thesis, University of Ottawa (Canada), 1994. http://hdl.handle.net/10393/9657.
Khajavi, Sheida, Freek Kapteijn e Johannes Carolus Jansen. "Separation based on molecular level using zeolitic membranes". Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-194860.
Khajavi, Sheida, Freek Kapteijn e Johannes Carolus Jansen. "Separation based on molecular level using zeolitic membranes". Diffusion fundamentals 3 (2005) 22, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14313.
KULKARNI, AMIT S. "REACTION INDUCED PHASE-SEPARATION CONTROLLED BY MOLECULAR TOPOLOGY". University of Cincinnati / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1108001435.
Ning, Xue. "Carbon molecular sieve membranes for nitrogen/methane separation". Diss., Georgia Institute of Technology, 2014. http://hdl.handle.net/1853/53986.
Song, Qilei. "Polymer molecular sieve membranes". Thesis, University of Cambridge, 2014. https://www.repository.cam.ac.uk/handle/1810/280264.
Kiyono, Mayumi. "Carbon molecular sieve membranes for natural gas separations". Diss., Georgia Institute of Technology, 2010. http://hdl.handle.net/1853/42798.
Kemmerlin, Ruben Kyle. "Carbon molecular sieve membranes for aggressive sour gas separations". Thesis, Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/50135.
Xu, Liren. "Carbon molecular sieve hollow fiber membranes for olefin/paraffin separations". Diss., Georgia Institute of Technology, 2013. http://hdl.handle.net/1853/50130.
Williams, Paul Jason. "Analysis of factors influencing the performance of CMS membranes for gas separation". Diss., Available online, Georgia Institute of Technology, 2006, 2006. http://etd.gatech.edu/theses/available/etd-05082006-082322/.
Teja, Amyn, Committee Member ; Koros, William, Committee Chair ; Jones, Christopher, Committee Member ; Nair, Sankar, Committee Member ; Kumar, Satish, Committee Member.
Gopinath, Smitha. "Molecular design, process design and process synthesis of separation systems". Thesis, Imperial College London, 2017. http://hdl.handle.net/10044/1/59004.
Au, Harold (Harold S. ). "Molecular dynamics simulation of nanoporous graphene for selective gas separation". Thesis, Massachusetts Institute of Technology, 2012. http://hdl.handle.net/1721.1/78180.
Cataloged from PDF version of thesis.
Includes bibliographical references (p. 71-76).
Graphene with sub-nanometer sized pores has the potential to act as a filter for gas separation with considerable efficiency gains compared to traditional technologies. Nanoporous graphene membranes are expected to yield high selectivity through molecular size exclusion effects, while achieving high permeability due to the very small thickness of graphene. In this thesis, we model the separation of gas components from a mixture using a graphene sheet with engineered pores of different sizes. We employ molecular dynamics simulations to calculate a large number of molecular trajectories, and thus obtain low-statistical-uncertainty estimates of transport rates through the membrane. Simulations are performed on two different gas mixtures - a helium-sulfur hexafluoride mixture, for which the large difference in molecular size lends itself to a size-based separation approach, and a hydrogen-methane mixture, which is relevant to natural gas processing. Our simulations show that graphene membranes with large pores are permeable to both gases in the mixture. As pore sizes are reduced, we observe a greater decrease in the permeability of the larger species that results in a molecular size exclusion effect for a range of pore sizes that are still permeable to the smaller species. This indicates that a pore size can be determined that achieves high selectivity in gas separation, while exhibiting high permeability for the desired gas species. We expect this work to form the basis for the design of an energy-efficient graphene-based gas separation device. The simulation-based approach described here can be very useful for guiding experimental efforts which are currently limited by the difficulty associated with creating pores of a specific size in otherwise pristine graphene.
by Harold Au.
S.M.
Corcoran, Edward W., Ronald R. Chance, Harry W. Deckman, Gregory J. DeMartin, Sebastián C. Reyes, C. J. Yoon e Trevor E. Clark. "Molecular transport in inorganic membranes: CO 2 /CH 4 separation". Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-194810.
Corcoran, Edward W., Ronald R. Chance, Harry W. Deckman, Gregory J. DeMartin, Sebastián C. Reyes, C. J. Yoon e Trevor E. Clark. "Molecular transport in inorganic membranes: CO 2 /CH 4 separation". Diffusion fundamentals 3 (2005) 18, S. 1, 2005. https://ul.qucosa.de/id/qucosa%3A14307.
Grommet, Angela B. "Coordination cages for the separation and transportation of molecular cargo". Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/274998.
Kang, Dun-Yen. "Single-walled metal oxide nanotubes and nanotube membranes for molecular separations". Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/44715.
Inman, Christina Elizabeth. "Stability and phase separation in peptide containing alkanethiol monolayers /". view abstract or download file of text, 2005. http://wwwlib.umi.com/cr/uoregon/fullcit?p3201684.
Typescript. Includes vita and abstract. Includes bibliographical references (leaves 236 - 249). Also available for download via the World Wide Web; free to University of Oregon users.
Bahamón, García Daniel. "New generation adsorbents for gas separation: from modeling to industrial application". Doctoral thesis, Universitat Autònoma de Barcelona, 2015. http://hdl.handle.net/10803/325690.
Given the rapid increase in population and the growth in energy consumption as a consequence of major developments in transportation and technology, sustainable development is of special relevance, suggesting ways to mitigate greenhouse gases emissions, including carbon capture and storage (or utilization, CCSU), energy efficiency, alternative energy sources and energy savings, as already suggested by the Kyoto’s Protocol and the IPCC reports. Hence, much effort has been devoted in recent years to develop technologies for capture and storage of CO2 from concentrated sources of emission. Apart from establishing new technologies, over the last decades the science of porous solid materials has become one of the most intense areas of research and development for chemists, physicists, and materials scientists. In fact, considerable progress has been made in recent years on the development of novel adsorbents. For instance, Metal Organic Frameworks (MOFs) have been gaining considerable attention as promising nanoporous materials for gas storage and gas separation applications due to their exceptional physical and chemical properties, and have already been demonstrated to be promising materials in the separation of different gases, however, a molecular level understanding of gas adsorption in the pores is crucial to accelerate the design and development of these and other applications. It is also fundamental to know their behavior under moisture conditions and impurities content, as normally found at specific industrial applications. The work developed in this Thesis highlights the use of molecular simulation techniques for optimizing environmental related processes, providing new procedures to assess the use of these materials from their fundamental knowledge until their applications at industrial conditions. The overall objective is to advance in the field of materials for CO2 capture and separation at process conditions. The influence of water vapor and impurities is explicitly considered, both, in the light of the fundamentals of adsorption and in the application for post-combustion carbon dioxide capture by swing adsorption cycles. Starting from a brief description of the fundamentals of adsorption and molecular simulations, a novel throughout review on recent studies of materials for CO2 capture and separation is presented, thus providing valuable information to assess their industrial application. Based on this review, some of the most promising materials for CO2 separation in a Temperature Swing Adsorption (TSA) process have been studied in detail by using molecular simulations (compared to experimental data when available), proposing a new process for the evaluation and optimization capture systems under real conditions. In addition, given the great influence of water as a trace compound on the separation, CuBTC (one of the most studied MOFs, stable in water and with potential for industrial application) has been investigated in comparison to the benchmark zeolite 13X. The effect of the coexisting species as well as the influence of water and SO2 in flue gas is examined in detail in order to reach a better understanding of the adsorption capacity, selectivity, adsorption density location and isosteric heat distributions. And finally, detailed parametric studies have been carried out for a comparative computational investigation for separating of multi-component mixtures of flue gas by using other representative zeolites such as kaolinite and chabazite. Additional work, related to another environmental problem: the separation of a pollutant (ibuprofen) in water, by using activated carbons, is also presented here, demonstrating the versatility of the tools used for these types of systems.
Keskin, Seda. "Accelerating development of metal organic framework membranes using atomically detailed simulations". Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/31679.
Committee Chair: Sholl, David S.; Committee Member: Chance, Ronald R.; Committee Member: Jang, Seung Soon; Committee Member: Koros, William J.; Committee Member: Nair, Sankar. Part of the SMARTech Electronic Thesis and Dissertation Collection.
Deschler, Felix. "How molecular doping affects the charge separation process in polymer-fullerene blends". Diss., lmu, 2013. http://nbn-resolving.de/urn:nbn:de:bvb:19-153170.
Zoroufchian, Moghadam Peyman. "Molecular simulation studies of gas adsorption and separation in metal-organic frameworks". Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/7595.
Ismail, Ahmad Fauzi. "Novel studies of molecular orientation in synthetic polymeric membranes for gas separation". Thesis, University of Strathclyde, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.249863.
Adams, Ryan Thomas. "High molecular sieve loading mixed matrix membranes for gas separations". Diss., Georgia Institute of Technology, 2010. http://hdl.handle.net/1853/39470.
Jackson, George. "Phase separation in solutions of large spherical particles". Thesis, University of Oxford, 1986. http://ora.ox.ac.uk/objects/uuid:9db7de2e-b365-4433-8e14-746efb32c070.
Zimmerman, Catherine Mary. "Advanced gas separation membrane materials : hyper rigid polymers and molecular sieve-polymer mixed matrices /". Digital version accessible at:, 1998. http://wwwlib.umi.com/cr/utexas/main.
Mohanty, Sanat. "Theory and simulations of molecular self-assembly : applications in separation and materials design /". Diss., ON-CAMPUS Access For University of Minnesota, Twin Cities Click on "Connect to Digital Dissertations", 2001. http://www.lib.umn.edu/articles/proquest.phtml.
Kurdi, Jamal. "Molecular engineering and nanostructuring of polymer networks for high performance gas separation membranes". Thesis, University of Ottawa (Canada), 2003. http://hdl.handle.net/10393/28990.
HU, NAIPING. "MOLECULAR SIMULATION OF POLYPHOSPHAZENES AS GAS SEPARATION AND DIRECT METHANOL FUEL CELL MEMBRANES". University of Cincinnati / OhioLINK, 2003. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1068675414.
Guo, Juncheng. "Molecular Simulation Study of Transport and Separation of Gas through Nanoporous Graphene Membranes". Thesis, Pau, 2020. http://www.theses.fr/2020PAUU3029.
Nanoporous graphene membranes are gaining attention in the field of separation processes. Regarding gas separation, perm-selective membranes technology consumes less energy than other conventional technologies. Due to nanoporous graphene’s atomic thickness, controllable pore size in the range of molecular diameters, mechanical and chemical stability, it is considered as one of the most favorable membrane material for industrial gas separation applications. For instance, in the context of natural gas production and air separation, the separation of CH4/CO2, N2/O2 mixtures would greatly benefit from this kind of new materials. With the rapid development in graphene fabrication technology, breakthroughs in nanoporous graphene membranes are expected in the next few years and quite sufficient data can be found in publications. However,there is no accurate theory that can predict gas permeation and separation factor quantitively.In this work, we show that gas permeation through single-layer nanoporous graphene membranes can be divided into three regimes: molecular sieving, crossover regime and effusion. We propose a theoretical framework to explain the mechanisms and predict the diffusive transport coefficient. In our framework, the transport coefficient is related to the parameters which can be computed from the potential of mean force (PMF) between permeating gas molecules and the membrane atoms. By means of Equilibrium (EMD) and Non Equilibrium (NEMD) molecular dynamics simulations, we explore the permeation of pure compounds through nanoporous graphene membranes exhibiting differentpore sizes and geometry. We also investigate the effect of thermodynamic conditions (pressure and temperature) on the transport coefficient. Simulated transport coefficients are in good agreement with the predictions of our theory over the whole range of permeation regimes. Furthermore, based on the knowledge acquired on the permeation of pure compounds, we define the concept of selectivity. By comparing the results of molecular simulations performed with gas mixtures, we show in which cases the results weobtained for pure compounds, and consequently our theoretical framework, allow us to predict the selectivity of mixtures
Castro, María. "Templating approaches to the synthesis of new microporous materials for gas adsorption and separation /". St Andrews, 2008. http://hdl.handle.net/10023/851.
Perry, John Douglas. "Formation and characterization of hybrid membranes utilizing high-performance polyimides and carbon molecular sieves". Diss., Available online, Georgia Institute of Technology, 2007, 2007. http://etd.gatech.edu/theses/available/etd-05152007-063433/.
Koros, William J., Committee Chair ; Breedveld, Victor, Committee Member ; Jones, Christopher W., Committee Member ; Kumar, Satish, Committee Member ; Nair, Sankar, Committee Member.
Sun, Chen. "Microfluidic technology for cellular analysis and molecular biotechnology". Diss., Virginia Tech, 2016. http://hdl.handle.net/10919/78742.
Ph. D.
Yang, Ruidong. "Studies on Molecular and Ion Transport in Silicalite Membranes andApplications as Ion Separator for Redox Flow Battery". University of Cincinnati / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1406820402.
Shu, Shu. "Engineering the performance of mixed matrix membranes for gas separations". Diss., Atlanta, Ga. : Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/26626.
Committee Chair: Koros William; Committee Member: Hess Dennis; Committee Member: Jones Christopher; Committee Member: Meredith Carson; Committee Member: Wong CP. Part of the SMARTech Electronic Thesis and Dissertation Collection.
Hedeland, Ylva. "Chiral Separation of Amines by Non-Aqueous Capillary Electrophoresis using Low Molecular Weight Selectors". Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Universitetsbiblioteket [distributör], 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-6759.
Murase, Hiroki. "Flow-induced phase separation and crystallization in semidilute solutions of ultrahigh molecular weight polyethylene". 京都大学 (Kyoto University), 2005. http://hdl.handle.net/2433/144863.
Ergican, Erdogan. "Molecular level separation of arsenic (V) from drinking water using cationic micelles and ultrafiltration membrane". abstract and full text PDF (free order & download UNR users only), 2005. http://0-gateway.proquest.com.innopac.library.unr.edu/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3210067.
Leay, Laura. "Innovative gas separations for carbon capture : a molecular simulation study". Thesis, University of Manchester, 2013. https://www.research.manchester.ac.uk/portal/en/theses/innovative-gas-separations-for-carbon-capture-a-molecular-simulation-study(c6a10ed1-136c-4d2d-a3fd-6a1284b98dda).html.
LE, THI HANH QUYEN. "MOLECULAR DESIGN OF CHELATING LIGANDS WITH HIGHLY SELECTIVE RECOGNITION AND SEPARATION FUNCTION FOR METAL IONS". 京都大学 (Kyoto University), 1997. http://hdl.handle.net/2433/202454.
Haldoupis, Emmanuel. "Mulitscale modeling and screening of nanoporous materials and membranes for separations". Diss., Georgia Institute of Technology, 2013. http://hdl.handle.net/1853/47669.
Rungta, Meha. "Carbon molecular sieve dense film membranes for ethylene/ethane separations". Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/50121.
Tao, Andi. "The development of computational high-throughput approaches for screening metal-organic frameworks in adsorptive separation applications". Thesis, University of Cambridge, 2019. https://www.repository.cam.ac.uk/handle/1810/288485.
Jennewein, Marc. "Production, radiochemical separation and chemical coupling of radioactive arsenic isotopes to synthesize radiopharmaceuticals for molecular imaging". [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=975967606.
Gong, Ting. "Computational Dissection of Composite Molecular Signatures and Transcriptional Modules". Diss., Virginia Tech, 2009. http://hdl.handle.net/10919/77302.
Ph. D.
Bae, Tae-Hyun. "Engineering nanoporous materials for application in gas separation membranes". Diss., Georgia Institute of Technology, 2010. http://hdl.handle.net/1853/42712.