Molecular simulations of biofuel and water purification in metal organic frameworks

... increases with decreasing cavity size and also with increasing the number of carbon atoms in organic linker.140 Jiang and Sandler studied the separation of linear and branched alkanes in IRMOF-1 ... hydrolysis reaction and water stability in MOFs Among MOF-5, IRMOF-10 and MOF-74, they found MOF-74 has a superior resistance to water than other MOFs.149 The presence of water in MOFs influences not ... heats of water adsorption in Li-, Na- and Csexchanged rho-ZMOF as a function of loading 47 Figure 2.8 Locations of water in the single 8-membered ring in Li-, Na- and Cs-exchanged rho-ZMOF at...

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Molecular simulations of transport and separation in protein crystals

... found and modeled 55-59 Salts Refs Separation of mixtures in protein crystals has also been investigated including racemic separation. 1,5,64 In chiral and affinity separation, for instance, proteins ... in protein crystals using MD simulations, and subsequently provide molecular insights and guidelines for the development of high-performance protein crystals in separation technology First, protein ... the transport and separation in protein crystals 1.3.2 Simulation Studies Most simulation studies on proteins are focused on the conformational change (folding and unfolding) of a single protein...

Molecular simulations for CO2 capture in metal organic frameworks

... MOLECULAR SIMULATIONS FOR CO2 CAPTURE IN METAL- ORGANIC FRAMEWORKS CHEN YIFEI (B.Eng., Hebei University of Technology, M Eng., Tianjin University, Tianjin, China) A THESIS SUBMITTED FOR THE ... ever-increasing computational power, molecular simulations have become increasingly important in materials science In particular, microscopic insights gained from simulations are indispensable in ... be interesting for pre- and post-combustion CO2 capture In addition, water has a negligible effect on the separation of these two CO2- containing mixtures Fourthly, CO2 adsorption is simulated in...

Computational study of adsorption and diffusion in metal organic frameworks

... linkers in various MOFs (IRMOF-1, IRMOF-3, IRMOF-1-4NH2, IRMOF-6, IRMOF-8, IRMOF-12, IRMOF-14, IRMOF-18 and IRMOF-993) and found that the larger linkers bind more H2 molecules and addition of ... predicted in catenated and non-catenated MOFs  To study the adsorption and diffusion of a model drug (ibuprofen) in mesoporous MIL-101 and UMCM-1 The energetics and dynamics of ibuprofen in the MOFs ... (left) and volumetric (right) isotherms of CO2 116 adsorption in IRMOF1, Mg-IRMOF1, Be-IRMOF1, IRMOF1 (NH2)4, IRMOF10, IRMOF13, IRMOF14, UMCM-1, F-MOF1 and COF102 Figure 5.9 Gravimetric (left) and...

An Analysis of Domestic Water Demand Structure and Water Recycling in Beijing

... 2011 Beijing City Haidian District China The center of Beijing Fig - Location map of Beijing city and Haidian District center, and has many places of interest and famous shopping areas (Beijing Municipal ... Structure of annual and seasonal per capita water demand in Beijing City appears in Fig This contrasts with the structure of annual per capita water demand in Tokyo City, shown in Fig Of the per ... system in China, Making Water Technol., 18(1), 49-51 (in Japanese) Murakawa S., Nishina D and Wang L (1999) Analysis on the structure of water demands in dwelling houses of Suzhou, China, J Archit...

The Importance of Water and Water Quality in Brewing pptx

... Pilsen is inextricably linked to the chemistry of the water Contents • Water in Brewing • Water as an ingredient – Brewhouse Chemistry – Water and Taints – Water and Micro-organisms • Water as ... lower the pH of hard water, and facilitate the reduction of the alkalinity and pH Soft water is better for pale lagers with good hop character If they are brewed in hard water, they end up being ... waters of Dublin are hard, those of Burton on Trent are high in calcium sulphate, and those of Pilsen (the home of clear lagers – are soft waters Water and Taint Water is a common source of Taints...

Review of the Desalination and Water Purification Technology Roadmap pptx

... Review of the Desalination and Water Purification Technology Roadmap http://www.nap.edu/catalog/10912.html Review of the Desalination and Water Purification Technology Roadmap Thermal While thermal ... rights reserved Review of the Desalination and Water Purification Technology Roadmap http://www.nap.edu/catalog/10912.html Review of the Desalination and Water Purification Technology Roadmap BOX ... reserved Review of the Desalination and Water Purification Technology Roadmap http://www.nap.edu/catalog/10912.html 10 Review of the Desalination and Water Purification Technology Roadmap Sparsely...

DEVELOPMENT OF GUIDELINES FOR WATER CONSERVATION IN PULP AND PAPER SECTOR doc

... Chapter 2: Industry Profil;e: Pulp and Paper Status of Pulp and Paper Mills in India Classification of Pulp and Paper Mills in the country Chapter 3: Manufacturing Processes Generalised Paper /Paper ... analysis for optimum reuse and recycling of waste water in terms of reduction in pollution load reaching ETP and fresh water consumption for each type of pulp and paper industry (vi) Evolve limits for ... type of pulp and paper industry were evolved National Productivity Council, New Delhi Final report on water conservation in Pulp and Paper Sector Page No.5 CHAPTER INDUSTRY PROFILE : PULP AND PAPER...

Báo cáo khoa học: Molecular and genetic characterization of osmosensing and signal transduction in the nematode Caenorhabditis elegans docx

... this minireview is to summarize what is currently known about the molecular mechanisms of osmotic stress resistance, osmosensing and signal transduction in C elegans Osmosensing and signaling in ... process of interest, allows genes to be ordered into pathways, and can provide important and novel mechanistic insights into the molecular structure and function of proteins In addition to forward genetic ... factor signaling in the hypodermis regulates whole animal ﬂuid balance [10] The intestine of adult C elegans is comprised of 20 epithelial cells that function in digestion and nutrient absorption In...

molecular dynamics simulation of thermal and thermomechanical phenomena in picosecond laser material interaction

... College of Engineering and Technology and the Department of Mechanical Engineering at the University of Nebraska at Lincoln References [1] H H€kkinen, U Landman, Superheating, melting, and a annealing ... sq thermal relaxation time Subscript i index of the atom In this work, MD simulations are conducted to study the thermal and thermomechanical phenomena in laser argon interaction using the laser ... resource in terms of suppressing the statistical uncertainty and revealing macro-scale phenomena in laser ablation This work emphasizes the evolution and propagation of temperature and thermomechanical...

Báo cáo sinh học: "Molecular epidemiology of clinical and carrier strains of methicillin resistant Staphylococcus aureus (MRSA) in the hospital settings of north India" pptx

... with the aim of determining epidemiology of clinical and carrier staphylococci and molecular studies of their acquisition and dissemination of resistance in a hospital setting in northern India ... upon the introduction of methicillin into clinical practice Methicillin- resistant S aureus (MRSA) was initially identified for the first time in 1961 by Jevons [25,26] Since then strains of methicillin- resistant ... Carrier MRSA Clinical MSSA % Clinical MRSA 1 1 Number of antibiotics used Figure Occurrence of multidrug resistance in methicillin- resistant and methicillin- sensitive S aureus clinical and carrier...

Báo cáo y học: "Molecular discrimination of responders and nonresponders to anti-TNFalpha therapy in rheumatoid arthritis by etanercept" docx

... role of endogenous IL-6 in controlling the levels of proinflammatory cytokines in acute inflammatory responses The particular role of IL-6 in inflammatory conditions such as RA is presently considered ... Brennan FM, Maini RN, Feldmann M: Role of pro-inflammatory cytokines in rheumatoid arthritis Springer Semin Immunopathol 1998, 20:133-147 Bathon JM, Genovese MC: The Early Rheumatoid Arthritis (ERA) ... was defined clinically by changes of 28-joint-count Disease Activity Score (DAS28) determined at the beginning of the study (baseline) and months after the start of etanercept treatment and additionally...

báo cáo khoa học: " Identification of drought-response genes and a study of their expression during sucrose accumulation and water deficit in sugarcane culms" potx

... Cite this article as: Iskandar et al.: Identification of drought-response genes and a study of their expression during sucrose accumulation and water deficit in sugarcane culms BMC Plant Biology ... absorption at 254 nm External standards were made using the Waters physiological amino acid standard with addition of Asn, Gln, GABA and Trp (Sigma) This standard was diluted to make a standard curve ... amino acid in the water- stressed samples Increasing levels of all amino acids were measured mostly after three or seven days of the water deficit stress (data not shown) Asparagine and phenylalanine...

Báo cáo sinh học: "Cytogenetic and molecular characterization of eight new reciprocal translocations in the pig species. Estimation of their incidence in French populations" pot

... systematically and allows the detection of rearrangements modifying very slightly the size and/ or the banding profiles of the chromosomes, as, for instance, in the case of the translocations rcp(15;17)(q24;q21) ... However, as in the previous case, the identification of the second chromosome pair involved in the rearrangement (pair 8) was much more difficult The hypothesis of breakpoints located in the 7q24 and 8p21 ... left, the rearranged chromosomes on the right; the locations of the breakpoints are indicated by arrows the presence of chromosome 17 material and helped to demonstrate the origin of the unstained...

The graphs below show the numbers of male and female workers in 1975 and 1995 in several employment sectors of the republic of Freedonia

... made gains in both the finance/banking industries and in the defence-related public sector Whereas some 125 000 women worked in finance and banking institutions in 1975, the number increased to ... answer: The two decades between 1975 and 1995 brought significant changes in the representation of women in Freedonia' s work force, according to the graphs In 1975, for example, some 300 000 men and ... 450 000 by 1995 The number of men grew only marginally from 425 000 to 480 000 over the same period In defence, the number of men declined from 225 000 to 200 000, while the number of women rose...

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