NAMS 2002 Workshop - ICOM 2008

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Membrane Modeling II - Gas Separation – 2 Tuesday July 15, 3:00 PM-3:30 PM, O’ahu/Waialua Molecular Modeling of Free Volume in Poly (pyrrolone-imide) Copolymers X. Wang (Speaker), University of California Berkeley, Berkeley, California, USA - xywangz@berkeley.edu I. Sanchez, University of Texas at Austin, Austin, Texas, USA B. Freeman, University of Texas at Austin, Austin, Texas, USA Poly (pyrrolone-imide) copolymers, ultra-rigid polymers which can mimic molecular sieves, have the potential to be used in the separation of olefin and paraffin gases in the petrochemical industry. The conventional separation of olefin and paraffin gases is done using energy intensive low temperature distillation. Using atomistic models, average cavity sizes and cavity size (free volume) distributions of poly (pyrrolone-imide) copolymers are calculated using the Cavity Energetic Sizing Algorithm (CESA). Cavity size distributions of poly (pyrrolone-imide) copolymers are consistent with the wide angle x-ray diffraction measurements.
Membrane Modeling II - Gas Separation – 3 Tuesday July 15, 3:30 PM-4:00 PM, O’ahu/Waialua Development of a Microscopic Free Volume Theory for Molecular Self- Diffusivity Prediction in Polymeric Systems H. Ohashi (Speaker), The University of Tokyo, Tokyo, Japan - yamag@res.titech.ac.jp T. Ito, Tokyo Institute of Technology, Tokyo, Japan T. Yamaguchi, Tokyo Institute of Technology, Tokyo, Japan Molecular diffusivity in polymer matrices is an important dynamic physical property for membrane transports. Prediction of the diffusivity using some theoretical models is favorable, and thus, several diffusion models for polymeric systems have been proposed up to now. However, diffusivity prediction model without adjustable parameter has not been proposed yet because microscopic phenomena are not taken into account in the previous models. Microscopically, molecular self-diffusion originates in the common mechanisms of molecular collisions and random walk motion in polymer systems as well as in simple liquids. Therefore, we developed a novel model for molecular diffusion in polymer by incorporating these two notions into the free volume theory. The free volume theory for polymeric systems contains two unknown parameters, so we introduced a newly developed concept, “shell-like free volume” around a molecule, and “random walk movement into neighbor free volume hole” into both of the unknown parameters. Incorporation of these microscopic concepts provides a predictive model, which can calculate self-diffusivity of mixing property using only pure component properties derived from experimental viscoelasticity and quantum chemical calculation. Using this model, we can predict self-diffusivity of various molecules in polymer matrices without using any adjustable parameter. Our model can be applied to molecules having various shapes and molecular types of gas, solvent, and solute in several polymeric systems. The predictive ability of our model was found to be fairly acceptable in every case and thus, the model can be a useful tool for polymeric membrane designs.
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ICOM 2008 Oral Presentation Proceed
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Professor Yoram Cohen Professor Joh
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ICOM 2008 Staff: The University of
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ICOM 2008 Workshop Schedule: Saturd
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Monday, July 14 - Afternoon Session
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Tuesday, July 15 - Afternoon Sessio
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8:15AM 8:35AM EMS Barrer Prize (Mau
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Friday, July 18 - Morning Sessions
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Oral Presentation Abstracts Morning
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Gas Separation I - 1 - Keynote Mond
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esulting permeability selectivity o
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chain packing. To ensure a well pha
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Gas Separation I - 5 Monday July 14
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satisfactory way the corresponding
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Drinking and Wastewater Application
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an adjusted water management in the
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prospect for new energy sources as
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oxygen removal to the desired pH. C
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(Cl - , SO4 2- , As(V)) and water t
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[1] R. Lima de Miranda, J. Kruse, K
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Polymeric Membranes I - 4 Monday Ju
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Polymeric Membranes I - 5 Monday Ju
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Biomedical and Biotechnology I - 1
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Acknowledgments The Authors acknowl
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isolation of CD34+ cells was achiev
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membranes were then challenged with
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in crossflow mode operation were in
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hydroxide. For Mg/Ca = 0, the fouli
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improvement of filterability also t
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scale where fouling rates are commo
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observed in two subsequence phenome
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Membrane Modeling I - Fundamental A
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Membrane Modeling I - Fundamental A
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of the impact of the operating para
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Oral Presentation Abstracts Afterno
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Hybrid and Novel Processes I - 2 Mo
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Arora, M.B., J.A. Hestekin, S.W. Sn
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Conclusions Reverse electrodialysis
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energy recovery. This is a remarkab
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eaction with mediator due to the co
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Nanofiltration and Reverse Osmosis
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4.3x10 -6 to 7.4x10 -6 cm 2 /s. Bas
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The development of these membranes
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permeability, defined as water perm
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supports including charged (PSF/SPE
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[4] L. M. Robeson, Journal of Membr
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y conventional polymers and provide
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[3] P.M. Budd, K.J. Msayib, C.E. Ta
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Nanostructured Membranes I - 5 Mond
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Fuel Cells I - 1 Monday July 14, 2:
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investigated at first. As a result,
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Desalination I - 2 Monday July 14,
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Composite Polymeric Membrane Format
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NAMS Alan S. Michaels Award - 1a Tu
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NAMS Alan S. Michaels Award - 2 Tue
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opportunities for improving membran
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NAMS Alan S. Michaels Award - 4b Tu
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[4] K. Vanherck et al. Accepted for
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accumulation had a strong effect on
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and, if so, to develop correlations
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non-porous and porous membranes are
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[2] Palmeri, J., Sandeaux, R. Sande
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fouling. Information obtained from
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This work performed under the auspi
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etween Ru(bi-pyridine)3 2+ and meth
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[1] M. Barboiu, C. Luca, C. Guizard
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Nanostructured Membranes II - 5 Tue
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Nanostructured Membranes II - 6 Tue
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than 10 nm. XRD data suggest that t
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Pervaporation and Vapor Permeation
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ethanol/butanol (non solvent) combi
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forward osmosis, the RO process is
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Osmotically Driven Membrane Process
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References: [1] Stupp, S. I.; Lebon
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temperatures might bring about the
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Page 215 and 216: concentration. These results are co
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Page 219 and 220: will be shown that homogeneous film
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Page 259 and 260: [10] Wang BG, Lv HL, Yang JC. Chem
Page 261 and 262: Membrane and Surface Modification I
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applied in the first two fields wil
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distribution of SBMA units within t
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5500 ppm (15 mM) was lowered to 30
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increasing the effective size of th
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etween 0 and 1), the automatic feed
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Membrane Modeling III - Process Sim
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Membrane Modeling III - Process Sim
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models developed suggests that ther
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start level has a huge impact on th
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Ultra- and Microfiltration I - Tran
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all three binary protein UF systems
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Synthetic solutions of ±-lactalbum
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Oral Presentation Abstracts Morning
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Gas Separation IV - 2 Thursday July
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6. T. C. Merkel, Z. He, I. Pinnau,
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EMS Barrer Prize - 1b Thursday July
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EMS Barrer Prize - 3 Thursday July
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EMS Barrer Prize - 4b Thursday July
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EMS Barrer Prize - 5 Thursday July
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therapy options have been modelled
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Ultra- and Microfiltration II - Pro
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in the vicinity of the rising bubbl
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of feed water ionic strength) on re
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technology that has gained growing
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Optimize polymeric membranes for sa
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Inorganic Membranes II - 2 Thursday
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confirms that the carbon dioxide pe
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permeability, stability issues comp
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Fuel Cells II - 2 Thursday July 17,
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5. Conclusion In this work, the evo
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Oral Presentation Abstracts Afterno
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an essentially pure H2 product is c
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In the presentation, we will presen
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was observed, indicative of the sim
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References Arora, M.B., J.A. Hestek
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performance of fibers is analyzed a
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Membrane Fouling III - RO & Biofoul
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[4] H. Noureddini, Book of Abstract
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component (PX, OX) separation via p
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Generally these results were in goo
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introduction of methyl groups into
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separation quality (10 µS/cm) and
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Desalination II - 3 Thursday July 1
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drop are linearly related (although
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antiscalant oxidation has been limi
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Membrane and Surface Modification I
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oth 15±5 kDa, which suggests that
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Atomic Force Microscopy (AFM), and
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y single gas permeation experiments
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PDMS toplayers were only partially
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noting that cross-linking agents co
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such extended parameter space in th
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Hybrid Membranes - 6 Thursday July
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Plenary Lecture III Friday July 18.
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Gas Separation V - 1 - Keynote Frid
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References: [1] H. Lin, E. Van Wagn
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elative contributions of Fickian di
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Gas Separation V - 4 Friday July 18
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Gas Separation V - 6 Friday July 18
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Electron Microscopy (TEM) analyses
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- Hybrid RO train: A hybrid RO trai
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concentration as well as on the sod
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scaling deposits in the DCMD device
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Silica colloidal solution with diff
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Membrane Fouling IV - RO & Desalina
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Polyacrylonitrile (PAN) UF membrane
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the polymer dope was PEI (12 wt%),
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Inorganic Membranes III - 1 - Keyno
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Inorganic Membranes III - 2 Friday
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CO2/H2 selectivity at high temperat
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ammonia complexes in aqueous soluti
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possible to have a membrane capable
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fired boiler flue gas, SOx and merc
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EPR/Ago/p-benzoquinone composite sh
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elated to the presence of free elec
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surroundings. When the temperature
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that no absorbent was detected in t
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days of filtration from 120 to 7-10
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was performed to restore membrane f
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with the SRT of 65 days, no correla
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Results Critical flux measurements
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MLSS is not directly proportional t
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Fuel Cells III - 2 Friday July 18,
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Fuel Cells III - 4 Friday July 18,
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Ultra- and Microfiltration III - Me
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can be deduced from the imaginary p
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membranes. The analysis of the ligh
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Membrane Contactors - 2 Friday July
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absorption liquid in the pores of t
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Packaging and Barrier Materials - 1
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Historically, all the approaches de
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