TY - JOUR TI - DEPOSITION OF ALPHA-SI,SN H ALLOY-FILMS BY REACTIVE MAGNETRON SPUTTERING FROM SEPARATE SI AND SN TARGETS AU - PARSONS, GN AU - COOK, JW AU - LUCOVSKY, G AU - LIN, SY AU - MANTINI, MJ T2 - Journal of Vacuum Science & Technology a-Vacuum Surfaces and Films AB - We have deposited thin film a-Si,Sn:H alloy films in a dual magnetron sputtering system, and have studied the chemical bonding of the constituent atoms by infrared (IR) absorption spectroscopy, Auger electron spectroscopy (AES), and x-ray photoelectron spectroscopy (XPS). We have also measured the band-edge optical absorption, the photoconductivity, and the temperature dependence of the dark conductivity. We find that the variation of the optical band gap, the dark conductivity and the photoconductivity are essentially the same in these films as in films produced by the glow discharge decomposition of silane (SiH4) and either SnCl4 or Sn(CH3)4. For Sn concentration as high as 26 at. %, we cannot detect SnH vibrations by IR. We find that the optical gap decreases monotonically with increasing Sn concentration, but that the dark conductivity does not display a conduction mechanism with an activation energy close to one-half of the optical gap. Instead, both the dark and photoconductivities display a transition to a hopping conduction mechanism at a Sn concentration between about 1 and 2 at. % (this corresponds to an optical gap just below 1.7 eV). We propose a model for this transition in which the Sn is incorporated in nontetrahedral bonding geometries. DA - 1986/// PY - 1986/// DO - 10.1116/1.573910 VL - 4 IS - 3 SP - 470-474 UR - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:A1986C819100053&KeyUID=WOS:A1986C819100053 ER - TY - JOUR TI - Phase Transitions in Adsorbed Layers – General Discussion AU - Gubbins, K.E. T2 - Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics AB - The first page of this article is displayed as the abstract. DA - 1986/// PY - 1986/// DO - 10.1039/F29868201817 VL - 82 IS - 10 SP - 1817–1869 ER - TY - CONF TI - An Assessment of UV-B Radiation Effects on Polymer Materials AU - Andrady, A.L. AU - Horst, R.L. T2 - UNEP/EPA Conference on Ozone Modification and Climatic Change A2 - Titus, James G. C2 - 1986/// C3 - Effects of Changes in Stratospheric Ozone and Global Climate DA - 1986/// PY - 1986/// VL - II: Stratospheric Ozone SP - 279-293 UR - https://nepis.epa.gov/Exe/ZyPURL.cgi?Dockey=9101N5RS.txt ER - TY - JOUR TI - A DB search algorithm application in injection molding process control AU - Andrady, A.L. AU - Suraweera, A.F. T2 - Computers in Industry AB - The current trend in the injection molding industry is towards the development of fully automated, multi-station molding facilities for thermoplastics. Close control over various process variables and ready accessibility of operational parameters for a variety of thermoplastics, is critical for success in achieving such a system. This invariably involves the setting up of a voluminous database. Efficiency of the database search algorithm is a particularly important consideration due to the relatively fast cycle times of the molding process. The organization of the database as a Doubly Chained Tree structure and the assignment of weights to terminal nodes, allows an efficient search algorithm to be developed for this purpose. DA - 1986/10// PY - 1986/10// DO - 10.1016/0166-3615(86)90089-8 VL - 7 IS - 5 SP - 411-415 J2 - Computers in Industry LA - en OP - SN - 0166-3615 UR - http://dx.doi.org/10.1016/0166-3615(86)90089-8 DB - Crossref ER - TY - JOUR TI - Hollow Fiber Microfiltration Methods for Recovery of Rat Basophilic Leukemia Cells (RBL-2H3) From Tissue Culture Media AU - Shiloach, Joseph AU - Kaufman, Jeanne B. AU - Kelly, Robert M. T2 - Biotechnology Progress AB - Biotechnology ProgressVolume 2, Issue 4 p. 230-233 Article Hollow Fiber Microfiltration Methods for Recovery of Rat Basophilic Leukemia Cells (RBL—2H3) From Tissue Culture Media Joseph Shiloach, Joseph Shiloach Biotechnology Unit, NIDDK, National Institutes of Health, Bethesda, Maryland 20892 Joseph Shiloach: is the head of the Biotechnology (Pilot Plant) Unit at the National Institutes of Health in Bethesda, Maryland. He received his Ph.D. from the Hebrew University in Jerusalem, Israel. He is heavily involved in fermentation processes, mammalian cell growth and recovery process of compounds with biological activity.Search for more papers by this authorJeanne B. Kaufman, Jeanne B. Kaufman Biotechnology Unit, NIDDK, National Institutes of Health, Bethesda, Maryland 20892 Jeanne Kaufman: received her B.S. in Biology at St. Mary's College in Maryland. She is currently with the Biotechnology unit at the National Institutes of Health. She is responsible for the growth of the mammalian cell culture on small and large scale.Search for more papers by this authorRobert M. Kelly, Robert M. Kelly Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 Robert M. Kelly: is currently assistant professor of chemical engineering at the Johns Hopkins University in Baltimore, Maryland where he has been since 1981. He received his Ph.D. in chemical engineering from North Carolina State University. His research interests include separation processes, especially chemical absorption and stripping, and biochemical engineering with emphasis on engineering problems related to the growth and utilization of bacteria from extreme environments.Search for more papers by this author Joseph Shiloach, Joseph Shiloach Biotechnology Unit, NIDDK, National Institutes of Health, Bethesda, Maryland 20892 Joseph Shiloach: is the head of the Biotechnology (Pilot Plant) Unit at the National Institutes of Health in Bethesda, Maryland. He received his Ph.D. from the Hebrew University in Jerusalem, Israel. He is heavily involved in fermentation processes, mammalian cell growth and recovery process of compounds with biological activity.Search for more papers by this authorJeanne B. Kaufman, Jeanne B. Kaufman Biotechnology Unit, NIDDK, National Institutes of Health, Bethesda, Maryland 20892 Jeanne Kaufman: received her B.S. in Biology at St. Mary's College in Maryland. She is currently with the Biotechnology unit at the National Institutes of Health. She is responsible for the growth of the mammalian cell culture on small and large scale.Search for more papers by this authorRobert M. Kelly, Robert M. Kelly Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 Robert M. Kelly: is currently assistant professor of chemical engineering at the Johns Hopkins University in Baltimore, Maryland where he has been since 1981. He received his Ph.D. in chemical engineering from North Carolina State University. His research interests include separation processes, especially chemical absorption and stripping, and biochemical engineering with emphasis on engineering problems related to the growth and utilization of bacteria from extreme environments.Search for more papers by this author First published: December 1986 https://doi.org/10.1002/btpr.5420020411Citations: 9 AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Citing Literature Volume2, Issue4December 1986Pages 230-233 RelatedInformation DA - 1986/12// PY - 1986/12// DO - 10.1002/btpr.5420020411 VL - 2 IS - 4 SP - 230-233 J2 - Biotechnol Progress LA - en OP - SN - 8756-7938 1520-6033 UR - http://dx.doi.org/10.1002/btpr.5420020411 DB - Crossref ER - TY - JOUR TI - Experimental methods for measuring static liquid holdup in packed columns AU - Schubert, C. N. AU - Lindner, J. R. AU - Kelly, R. M. T2 - AIChE Journal AB - AIChE JournalVolume 32, Issue 11 p. 1920-1923 R & D Note Experimental methods for measuring static liquid holdup in packed columns C. N. Schubert, C. N. Schubert Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this authorJ. R. Lindner, J. R. Lindner Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this authorR. M. Kelly, Corresponding Author R. M. Kelly Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this author C. N. Schubert, C. N. Schubert Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this authorJ. R. Lindner, J. R. Lindner Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this authorR. M. Kelly, Corresponding Author R. M. Kelly Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Department of Chemical Engineering, Johns Hopkins University, Baltimore, MD 21218Search for more papers by this author First published: November 1986 https://doi.org/10.1002/aic.690321119Citations: 29AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Literature cited Baldi, G., and S., Sicardi, “A Model for Mass Transfer with and without Chemical Reaction in Packed Towers,” Chem. Eng. Sci., 30, 617 (1975). Bennett, A., and F., Goodridge, “Hydrodynamic and Mass Transfer Studies in Packed Absorption Columns,” Trans. Inst. Chem. Engrs., 48, T232 (1970). Hoogendoorn, C. J., and J., Lips, “Axial Mixing of Liquid in Gas-Liquid Flow through Packed Beds,” Can. J. Chem. Eng., 43, 125 (1965). Joosten, G. E. H., and P. V., Dankwerts, “Chemical Reaction and Effective Interfacial Areas in Gas Absorption,” Chem. Eng. Sci., 28, 453 (1973). Patwardhan, V. S., “Effective Interfacial Area in Packed Beds for Absorption with Chemical Reaction,” Can. J. Chem. Eng., 56, 56 (1978). Patwardhan, V. S., and V. R., Shrotri, “Mass Transfer Coefficient between the Static and Dynamic Holdups in a Packed Column,” Chem. Eng. Commun., 10, 349 (1981). Puranik, S. S., and A., Vogelpohl, “Effective Interfacial Area in Irrigated Packed Columns,” Chem. Eng. Sci., 29, 501 (1974). Ruszkay, R. D., “ Transient Response of Liquid Flowing through Packed Tower with Air Counterflow,” Ph.D. Thesis, Columbia Univ. (1963). Shulman, H. L., C. F., Ullrich, and N. Wells, “Performance of Packed Columns. 1: Total, Static, and Operating Holdups,” AIChE J., 1, 247 (1955). van Swaaij, W. P. M., J. C. Charpentier, and J. Villermaux, “Residence Time Distribution in the Liquid Phase of Trickle Flow in Packed Columns,” Chem. Eng. Sci., 24, 1,083 (1969). Citing Literature Volume32, Issue11November 1986Pages 1920-1923 ReferencesRelatedInformation DA - 1986/11// PY - 1986/11// DO - 10.1002/aic.690321119 VL - 32 IS - 11 SP - 1920-1923 J2 - AIChE J. LA - en OP - SN - 0001-1541 1547-5905 UR - http://dx.doi.org/10.1002/aic.690321119 DB - Crossref ER - TY - JOUR TI - Microbiological Metal Transformations: Biotechnological Applications and Potential AU - Olson, Gregory J. AU - Kelly, Robert M. T2 - Biotechnology Progress AB - Biotechnology ProgressVolume 2, Issue 1 p. 1-15 Biotechnology Progress Topics Microbiological Metal Transformations: Biotechnological Applications and Potential Gregory J. Olson, Gregory J. Olson Surface Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD 20899 Gregory J. Olson: is currently a research microbiologist in the Institute for Materials Science and Engineering at the National Bureau of Standards in Gaithersburg, Maryland. He received a Ph.D. in Microbiology from Montana State University in 1978 and joined NBS as a National Research Council Postdoctoral Fellow (1979–81). His current research interests include biological transformations of materials and development and application of molecular measurement methods to characterize these processes.Search for more papers by this authorRobert M. Kelly, Robert M. Kelly Department of Chemical Engineering, The Johns Hopkins University, Baltimore, MD 21218 Robert M. Kelly: is currently assistant professor of chemical engineering at the Johns Hopkins University in Baltimore, Maryland where he has been since 1981. He received his BS and MS from the University of Virginia and a Ph.D. in chemical engineering from North Carolina State University. Prior to his doctoral work, he was employed with the du Pont Company at Marshall Laboratory in Philadelphia. His research interests include separation processes, especially chemical absorption and stripping, and biochemical engineering with emphasis on engineering problems related to the growth and utilization of bacteria from extreme environments.Search for more papers by this author Gregory J. Olson, Gregory J. Olson Surface Chemistry and Bioprocesses Group, National Bureau of Standards, Gaithersburg, MD 20899 Gregory J. Olson: is currently a research microbiologist in the Institute for Materials Science and Engineering at the National Bureau of Standards in Gaithersburg, Maryland. He received a Ph.D. in Microbiology from Montana State University in 1978 and joined NBS as a National Research Council Postdoctoral Fellow (1979–81). His current research interests include biological transformations of materials and development and application of molecular measurement methods to characterize these processes.Search for more papers by this authorRobert M. Kelly, Robert M. Kelly Department of Chemical Engineering, The Johns Hopkins University, Baltimore, MD 21218 Robert M. Kelly: is currently assistant professor of chemical engineering at the Johns Hopkins University in Baltimore, Maryland where he has been since 1981. He received his BS and MS from the University of Virginia and a Ph.D. in chemical engineering from North Carolina State University. Prior to his doctoral work, he was employed with the du Pont Company at Marshall Laboratory in Philadelphia. His research interests include separation processes, especially chemical absorption and stripping, and biochemical engineering with emphasis on engineering problems related to the growth and utilization of bacteria from extreme environments.Search for more papers by this author First published: March 1986 https://doi.org/10.1002/btpr.5420020104Citations: 38 AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Literature Cited 1 Torma, A. E., “Biohydrometallurgy as an emerging technology,” Biotech. Bioeng., in press. 2 Brierley, J. A., C. L. Brierley, and G. M. Goyak, “ATM—Bioclaim: A new wastewater treatment and metal recovery technology,” Proc. 6th Internat. Symp. on Biohydrometallurgy, Vancouver, BC Aug. 21–24, 1985, in press. 3 Gale, N. L. and B. G. Wixson, “Removal of heavy metals from industrial effluents by algae,” Dev. Ind. Microbiol., 20, 259 (1978). 4 Zajic, J. E., and Y. S. Chiu, “Removal of heavy metals by microbes,” Dev. Ind. Microbiol., 13, 91 (1971). 5 Temple, K. L. and A. R. Colmer, “The autotrophic oxidation of iron by a new bacterium, Thiobacillus ferrooxidans,” J. Bacteriol., 62, 605 (1951). 6 Balashava, V. I., G. E. Markosyan, and G. A. Zavarzin, “The auxotrophic growth of Leptospirillum ferrooxidans,” Microbiology, 43, 491 (1974). 7 Waksman, S. A. and J. S. Joffe, “Acid production by a new sulfur oxidizing bacterium,” Science, 53, 216 (1921). 8 Brierley, J. A., “Contribution of chemautotrophic bacteria to the acid thermal waters of the Geyser Spring Group in Yellowstone National Park,” Ph.D. thesis, Montana St. Univ., Bozeman, (1966). 9 Brock, T. D., K. M. Brock, R. T. Belly, and B. L. Weiss, “Sulfolobus: a new genus of sulfur-oxidizing bacteria living at low pH and high temperatures,” Arch. Microbiol, 84, 54 (1972). 10 Brierley, C. L. and J. A. Brierley, “A chemoautotrophic and thermophilic microorganism isolated from an acid hot spring,” Can. J. Microbiol., 19, 183 (1973). 11 Harrison, A. P. Jr., “Acidiphilium cryptum gen nov., sp. nov., heterotrophic bacterium from acidic mineral environments,” Internat. J. System. Bacteriol., 31, 327 (1981). 12 Wichlacz, P. L. and R. E. Unz, “Acidophilic heterotrophic bacteria of acid mine wastes,” Appl. Environ. Microbiol., 41, 1254 (1981). 13 Brierley, J. A., “Thermophilic iron-oxidizing bacteria found in copper leach dumps,” Appl. Environ. Microbiol., 36, 523 (1978). 14 Wood, A. P. and D. P. Kelly, “Autotrophic and mixotrophic growth of three thermoacidophilic iron-oxidizing bacteria,” Trends in Biotechnol., 3, 86 (1985). 15 Gentina, J. C. and F. Acevedo, “Microbial ore leaching in developing countries,” Trends in Biotechnol, 3, 86 (1985). 16 Ehrlich, H. L., “Inorganic energy sources for chemolithotrophic and mixotropic bacteria,” Geomicrobiol. J., 1, 65 (1978). 17 Lewis, A. J., and J. D. A. Mier, “Stannous and cuprous ion oxidation by Thiobacillus ferrooxidans,” Can. J. Microbiol., 23, 319 (1977). 18 DiSpirito, A. A. and O. H. Tuovinen, “Uranous ion oxidation and carbon dioxide fixation by Thiobacillus ferrooxidans,” Arch. Microbiol., 133, 28 (1982). 19 Kelly, D. P., Bioenergetics of chemolithotrophic bacteria, Chap. 15 in Companion to Microbiology, A. T. Bull and P. M. Meadows, eds., Longman: London and New York, pp. 363–386 (1978). 20 Ingledew, W. J., “Thiobacillus ferrooxidans: The bioenergetics of an acidophilic chemolithotroph,” Biochim. Biophys. 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Kelly, “Use of epifluorescence microscopy for characterizing the activity of Thiobacillus ferrooxidans on metal sufides,” submitted to Biotechnol. Bioeng. 93 Lancy, E. D., and O. H. Tuovinen, “Ferrous ion oxidation by Thiobacillus ferrooxidans in calcium alginate,” Appl. Microbiol. Biotechnol., 20, 94 (1984). 94 Kelly, D. P., C. A. Jones, and J. S. Green, “Factors affecting metabolism and ferrous iron oxidation in suspensions and batch cultures of Thiobacillus ferrooxidans,” paper presented at Int. Symp. Metallurg. Appl. Bacterial Leaching and Related Microbial Phenomena, Socorro, New Mexico, August, 1977. 95 Guay, R., M. Silver, and A. E. Torma, “Ferrous iron oxidation and uranium extraction by Thiobacillus ferrooxidans,” Biotechnol., Bioeng., 19, 727 (1977). 96 Liu, M. S., R. M. R. Branion, and D. W. Duncan, “Determination of the solubility of oxygen in fermentation media,” Biotechnol. Bioeng., 15, 213 (1973). 97 Tuovinen, O. H. and D. P. 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Citing Literature Volume2, Issue1March 1986Pages 1-15 ReferencesRelatedInformation DA - 1986/3// PY - 1986/3// DO - 10.1002/btpr.5420020104 VL - 2 IS - 1 SP - 1-15 J2 - Biotechnol Progress LA - en OP - SN - 8756-7938 1520-6033 UR - http://dx.doi.org/10.1002/btpr.5420020104 DB - Crossref ER - TY - JOUR TI - The Representation of Highly Non-Ideal Phase Equilibria Using Computer Graphics AU - Charos, G.N. AU - Clancy, P. AU - Gubbins, K.E. T2 - Chemical Engineering Education DA - 1986/// PY - 1986/// VL - 20 SP - 88–91 ER - TY - CHAP TI - Molecular Orientation at the Free Liquid Surface AU - Gubbins, K.E. T2 - Fluid Interfacial Phenomena A2 - Croxton, C.A. PY - 1986/// SP - 469–521 PB - Wiley ER - TY - JOUR TI - Integrals over pair- and triplet-correlation functions for the Lennard-Jones (12–6)-fluid AU - Luckas, M. AU - Lucas, K. AU - Deiters, U. AU - Gubbins, K.E. T2 - Molecular Physics AB - New interpolation equations are given for some typical integrals over pair- and triplet-correlation functions of a Lennard-Jones (12–6)-fluid. These integrals extend over a large region of states and can easily be differentiated with respect to density and temperature. The integrals over the triplet-correlation function were simulated in Monte Carlo calculations, thus avoiding the use of the superposition approximation. The performance of this approximation is briefly discussed. DA - 1986/2/10/ PY - 1986/2/10/ DO - 10.1080/00268978600100191 VL - 57 IS - 2 SP - 241-253 J2 - Molecular Physics LA - en OP - SN - 0026-8976 1362-3028 UR - http://dx.doi.org/10.1080/00268978600100191 DB - Crossref ER - TY - JOUR TI - Theory and simulation of associating liquid mixtures AU - Chapman, W.G. AU - Gubbins, K.E. AU - Joslin, C.G. AU - Gray, C.G. T2 - Fluid Phase Equilibria AB - We present a theory for mixtures in which molecular association occurs, and apply it to binary mixtures of components A and B in which AB dimers are formed, but there is no AA or BB dimerization. The theory, which is an extension to mixtures of one recently proposed by Wertheim, is based on a resummed cluster expansion. The attractive sites within the molecules are modeled by off-center point charges in a dipolar symmetry. The effect of these attractive sites on the concentration of dimers and thermodynamic excess functions is studied. Monte Carlo computer simulations are carried out for the model fluid, and the results are compared with the theory. Excellent agreement is found. The theory describes the main physical effects present in a prototype mixture of this type, chloroform-acetone. DA - 1986/10// PY - 1986/10// DO - 10.1016/0378-3812(86)85033-6 VL - 29 SP - 337-346 J2 - Fluid Phase Equilibria LA - en OP - SN - 0378-3812 UR - http://dx.doi.org/10.1016/0378-3812(86)85033-6 DB - Crossref ER - TY - JOUR TI - Adsorption and orientation of amphiphilic molecules at a liquid-liquid interface AU - Telo da Gama, M.M. AU - Gubbins, K.E. T2 - Molecular Physics AB - A generalized van der Walls theory for non-uniform molecular fluids was applied to the (A-rich, B-rich) liquid-liquid interface of a ternary mixture (A, B, C) with one amphiphilic component (C). We have calculated the surface tension, adsorption and density-orientation profiles at the interface at fixed temperature T and pressure p, over the whole range of concentration of C in the two liquid phase region. At fixed pressure this region terminates at a triple point at low T and at a plait point at higher T. The surface tension decreases with the concentration of C and tends to zero as the plait point is approached. At the triple point the surface tension is finite but can be very low. As p and T are varied this interface can exhibit a wetting transition. The dependence of the interfacial properties on the parameters characterizing the potentials (especially those involving C) has been investigated. DA - 1986/10/10/ PY - 1986/10/10/ DO - 10.1080/00268978600102031 VL - 59 IS - 2 SP - 227-239 J2 - Molecular Physics LA - en OP - SN - 0026-8976 1362-3028 UR - http://dx.doi.org/10.1080/00268978600102031 DB - Crossref ER - TY - JOUR TI - Liquid drops of polar molecules AU - Shreve, A. P. AU - Walton, J. P. R. B. AU - Gubbins, K. E. T2 - The Journal of Chemical Physics AB - We report a molecular dynamics study of liquid drops composed of Stockmayer molecules. We calculate density profiles, the density-orientation profiles, liquid and vapor pressures, the Irving–Kirkwood (IK) pressure tensor, surface tensions, the positions of surfaces of tension, and Tolman’s length δ. In the process of performing these calculations we present a novel computational method for the IK pressure tensor for inhomogeneous molecular fluids that is derived from stress arguments. The effects of curvature on the vapor–liquid interface of a Stockmayer fluid are discussed at a qualitative level. DA - 1986/8/15/ PY - 1986/8/15/ DO - 10.1063/1.451111 VL - 85 IS - 4 SP - 2178-2186 J2 - The Journal of Chemical Physics LA - en OP - SN - 0021-9606 1089-7690 UR - http://dx.doi.org/10.1063/1.451111 DB - Crossref ER - TY - JOUR TI - A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble AU - Lee, D. J. AU - Telo da Gama, M. M. AU - Gubbins, K. E. T2 - The Journal of Chemical Physics AB - We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. DA - 1986/7// PY - 1986/7// DO - 10.1063/1.451627 VL - 85 IS - 1 SP - 490-499 J2 - The Journal of Chemical Physics LA - en OP - SN - 0021-9606 1089-7690 UR - http://dx.doi.org/10.1063/1.451627 DB - Crossref ER - TY - JOUR TI - Fluid behaviour in narrow pores AU - Peterson, Brian K. AU - Walton, Jeremy P. R. B. AU - Gubbins, Keith E. T2 - Journal of the Chemical Society, Faraday Transactions 2 AB - The behaviour of a Lennard-Jones fluid confined within a straight cylindrical pore has been studied using mean-field theory. The fluid potential parameters were chosen to model argon, and a range of wall–fluid parameters, including values approximating carbon dioxide and graphite walls, was investigated. We calculated the density profile and grand potential of the fluid, and examined the effect of varying the pore radius, pressure, temperature, and strength of the wall–fluid forces on these properties, and especially on the gas–liquid phase transitions that occur. We found that the gas–liquid transition occurs at pressures below the bulk fluid vapour pressure in all cases studied. For a fixed temperature, when the pore radius is decreased the gas–liquid coexistence curve ends in a critical point, as has been observed for fluids between parallel plates. The strength of the wall–fluid forces had a dramatic effect on the phase diagram, changing both the range of pore sizes in which phase transitions occur, and the effect of temperature on them. DA - 1986/// PY - 1986/// DO - 10.1039/f29868201789 VL - 82 IS - 10 SP - 1789 J2 - J. Chem. Soc., Faraday Trans. 2 LA - en OP - SN - 0300-9238 UR - http://dx.doi.org/10.1039/f29868201789 DB - Crossref ER - TY - JOUR TI - Equation of state for athermal lattice chains AU - Dickman, Ronald AU - Hall, Carol K. T2 - The Journal of Chemical Physics AB - We report results of Monte Carlo simulations of athermal chains in the square lattice, and present a detailed comparison between Flory and Flory–Huggins theories and the numerical results. DA - 1986/9// PY - 1986/9// DO - 10.1063/1.451010 VL - 85 IS - 5 SP - 3023-3026 J2 - The Journal of Chemical Physics LA - en OP - SN - 0021-9606 1089-7690 UR - http://dx.doi.org/10.1063/1.451010 DB - Crossref ER - TY - JOUR TI - Elastic interactions between hydrogen atoms in metals. II. Elastic interaction energies AU - Shirley, Arthur I. AU - Hall, Carol K. T2 - Physical Review B AB - The fully harmonic lattice approximation derived in a previous paper is used to calculate the elastic interaction energies in the niobium-hydrogen system. The permanent-direct, permanent-indirect, induced-direct, and induced-indirect forces calculated previously each give rise to a corresponding elastic interaction between hydrogen atoms. The latter three interactions have three- and four-body terms in addition to the usual two-body terms. These quantities are calculated and compared with the corresponding two-body permanent elastic interactions obtained in the harmonic-approximation treatment of Horner and Wagner. The results show that the total induced elastic energy is approximately (1/3) the size of the total permanent elastic energy and opposite to it in sign. The total elastic energy due to three-body interactions is approximately (1/4) the size of the total two-body elastic energy, while the total four-body elastic energy is approximately 5% of the total two-body energy. These additional elastic energies are expected to have a profound effect on the thermodynamic and phase-change behavior of a metal hydride. DA - 1986/6/15/ PY - 1986/6/15/ DO - 10.1103/physrevb.33.8099 VL - 33 IS - 12 SP - 8099-8109 J2 - Phys. Rev. B LA - en OP - SN - 0163-1829 UR - http://dx.doi.org/10.1103/physrevb.33.8099 DB - Crossref ER - TY - JOUR TI - Elastic interactions between hydrogen atoms in metals. I. Lattice forces and displacements AU - Shirley, Arthur I. AU - Hall, Carol K. T2 - Physical Review B AB - This is the first of a series of papers in which a second-order perturbation theory is derived for the Hamiltonian of a metal hydride. The theory, which is called the fully harmonic lattice approximation, or FHLA, goes beyond the customary harmonic treatment of Horner and Wagner to include second-order terms for the hydrogen-hydrogen and metal-hydrogen potentials. These terms account for the hydrogen-concentration dependences of a metal hydride's volume and elastic constants; their inclusion should result in a better representation of the free-energy and phase-change behavior at high hydrogen concentration. In this paper, the forces between hydrogen atoms and metal atoms are evaluated using the FHLA. Two types of forces result: direct forces, between an isolated hydrogen atom and a metal atom, and indirect forces, which are effective forces between a hydrogen atom and a metal atom caused by the presence of a neighboring hydrogen atom. Both the direct and indirect forces each have two components: a permanent part, which is equivalent to the force exerted by a hydrogen atom on a metal atom in the pure (hydrogen-free) metal lattice, and an induced part, which corrects the permanent part for the effects of the hydrogen atom on the metal-metal couplings. These four forces are evaluated for the hydrogen-niobium system. The indirect forces have one-tenth the magnitude and are of opposite sign to the direct forces. The induced component of the force is approximately one-third the size of the permanent component, and opposite to it in sign. The displacements of the metal atoms surrounding an isolated hydrogen atom or a pair of hydrogen atoms are also evaluated. These are compared with the results of previous harmonic-approximation calculations and of experiments on the hydrogen-niobium system. In a subsequent paper these forces are used to evaluate the elastic interaction of hydrogen atoms in a metal. DA - 1986/6/15/ PY - 1986/6/15/ DO - 10.1103/physrevb.33.8084 VL - 33 IS - 12 SP - 8084-8098 J2 - Phys. Rev. B LA - en OP - SN - 0163-1829 UR - http://dx.doi.org/10.1103/physrevb.33.8084 DB - Crossref ER - TY - JOUR TI - Mathematical modelling of diffusion and reaction in blocked zeolite catalysts AU - Sundaresan, S. AU - Hall, C.K. T2 - Chemical Engineering Science AB - A mathematical model for diffusion and reaction in blocked zeolites is developed which takes into account nonidealities arising from interaction between sorbed molecules as well as the effect of pore and surface blocking. The model combines a microscopic approach, in which expressions for chemical potential and diffusive fluxes are calculated within the lattice-gas framework, with the more traditional continuum approach which takes into account the effect of surface blocking. The effect of pore blocking on the diffusive fluxes in accounted for through an effective medium approximation. The effects of crystal size and blocking on the activity-selectivity characteristics of the crystal are illustrated through an example that is qualitatively similar to industrially important reactions such as alkylation of toluene in blocked ZSM-5 zeolite. DA - 1986/// PY - 1986/// DO - 10.1016/0009-2509(86)85242-3 VL - 41 IS - 6 SP - 1631-1645 J2 - Chemical Engineering Science LA - en OP - SN - 0009-2509 UR - http://dx.doi.org/10.1016/0009-2509(86)85242-3 DB - Crossref ER - TY - CHAP TI - Local Structure of Fluids Containing Short-Chain Molecules via Monte Carlo Simulation AU - Honnell, K. G. AU - Hall, C. K. T2 - Equations of State AB - Monte Carlo simulation has been used to investigate local structure of model systems of butane and octane at volume fractions ranging from 0.001 to 0.3. At low and moderate densities the bead-bead intermolecular radial distribution function, g(r), near contact was found to be significantly less than one, indicating the presence of an excluded volume surrounding each bead. The value of g(r) near contact increased with increased density, and decreased with increased chain length. PY - 1986/3/24/ DO - 10.1021/bk-1986-0300.ch009 SP - 201-213 OP - PB - American Chemical Society SN - 0841209588 0841211329 UR - http://dx.doi.org/10.1021/bk-1986-0300.ch009 DB - Crossref ER - TY - JOUR TI - An experimental and theoretical study of phase transitions in the polystyrene latex and hydroxyethylcellulose system AU - Gast, A.P AU - Russel, W.B AU - Hall, C.K T2 - Journal of Colloid and Interface Science AB - We present an experimental study of phase transitions induced in polystyrene latices by hydroxyethylcellulose and interpret the results by applying perturbation theory from statistical mechanics to an interaction potential derived from the volume exclusion mechanism of Akasura and Oosawa. The predictions agree semiquantitatively with the measured colloidal phase densities and the critical polymer concentration above which flocculation occurs for a wide range of ionic strengths. The theory also predicts the type of phase transition, i.e., fluid-solid or fluid-fluid, observed by Sperry. The agreement between experiment and theory demonstrates the predictive capability of the perturbation theory for weakly aggregating colloidal suspensions. DA - 1986/1// PY - 1986/1// DO - 10.1016/0021-9797(86)90291-2 VL - 109 IS - 1 SP - 161-171 J2 - Journal of Colloid and Interface Science LA - en OP - SN - 0021-9797 UR - http://dx.doi.org/10.1016/0021-9797(86)90291-2 DB - Crossref ER - TY - JOUR TI - Theory of the order–disorder transition in hydrogen–niobium systems AU - Futran, Mauricio AU - Hall, Carol K. T2 - The Journal of Chemical Physics AB - A theoretical investigation of the high temperature phase change behavior of hydrogen in niobium is described. In an effort to understand the interplay between the hydrogen–hydrogen interactions considered and the appearance of the α, α′, β, and ε phases, a series of lattice-gas model calculations of the phase diagram is performed. It is shown that the pairwise interactions at the first three shells beyond the hard core must satisfy certain constraints in order to obtain the α→α′→β sequence of phases at high temperatures. A set of interactions which gives the best predictions for the α–α′–β phase boundary is described. It does not appear possible to produce a set of pairwise interactions of range <21/2a which simultaneously yields the α, α′, β, and ε phases. This indicates that multibody interactions are of nonnegligible significance at higher hydrogen concentrations. DA - 1986/8// PY - 1986/8// DO - 10.1063/1.451194 VL - 85 IS - 3 SP - 1539-1544 J2 - The Journal of Chemical Physics LA - en OP - SN - 0021-9606 1089-7690 UR - http://dx.doi.org/10.1063/1.451194 DB - Crossref ER - TY - JOUR TI - Mass-transfer rates in the presence of an oscillating boundary layer AU - Fedkiw, Peter S. AU - Potente, James M. AU - Brouns, Daniel R. T2 - Chemical Engineering Science AB - The boundary-layer form of the convective-diffusion equation has been solved under a spatially uniform but sinusoidally oscillating wall-concentration boundary condition. An analytical solution for the stationary-state local wall flux is found for two cases: (i) the wall moves at a constant velocity, and (ii) the fluid flows past a static wall. The flux in the leading-edge region is in phase with the wall concentration oscillation and decays in the same manner as the steady-state flux for each case. In both cases at large dimensionless distance from the leading edge (corresponding to a high oscillation frequency), the time-dependent contribution to the flux becomes independent of streamwise position; but the time-averaged wall flux follows the normal decay of the Lévêque solution when the time-averaged wall concentration is used as the boundary condition. A spatially uniform, but time-dependent, boundary layer thickness is established in marked contrast to the increasing growth under steady-state conditions. The results presented here may be used as a basis for calculating the mass-transfer rate in the presence of an arbitrary wall-concentration oscillation which may also be spatially nonuniform. DA - 1986/// PY - 1986/// DO - 10.1016/0009-2509(86)87051-8 VL - 41 IS - 7 SP - 1735-1741 J2 - Chemical Engineering Science LA - en OP - SN - 0009-2509 UR - http://dx.doi.org/10.1016/0009-2509(86)87051-8 DB - Crossref ER - TY - JOUR TI - THE AEROBIC AND PEROXIDE-INDUCED COUPLING OF AQUEOUS THIOLS .2. REACTION-MECHANISMS, MODEL ANALYSIS, AND A COMPARISON OF THE MODEL AND EXPERIMENTAL RESULTS AU - LIM, PK AU - GILES, DW AU - CHA, JA T2 - CHEMICAL ENGINEERING SCIENCE AB - Kinetic results of the preceeding paper are used to formulate the most probable reaction mechanisms for the peroxide-induced and aerobic coupling of aqueous thiols. Parameters in the proposed mechanisms are evaluated for n-propylthiol using the results of independent measurements. A remarkably good agreement is achieved between the model and experimental results. The peroxide reaction, which is not affected by either copper ion or radical scavengers, is shown to be a nucleophilic substitution (SN 2) reaction which proceeds by a two-step mechanism as follows: RS− + H2O2 RSOH + OH− rate-determining RS− + RSOH → RSSR + OH− In the reaction the thiolate anion acts as the nucleophile while hydrogen peroxide and the transient sulfenic acid, RSOH, function as electrophiles. The most plausible mechanism for the copper-catalyzed, aerobic coupling reaction is as follows: Cu+ (RSSR)2+ + RS− (RSSR)Cu+ (RS−) + RSSR (RSSR)Cu+ (RS−) + RS− (RSSR)Cu+ (RS−)2− (RSSR)Cu+ (RS−)2− + O2 Cu+(RSSR)2+ + HO2− rate-determining RS− + H2O2 RSOH + OH− rate-determining RS− + RSOH → RSSR + OH− For the n-propylthiol substrate, the pertinent parameters in the mechanism are 1n (K1) = −11,000 K/T + 33.6, where K1 is dimensionless, 1n (K2) = 4270 K/T −10.5, where K2 is in 1/mol, 1n (k2) = 30.0 − 5260 K/T, and 1n (k2) = 26.8 − 6190 K/T, where k1 and k2 are in 1/(mol min). DA - 1986/// PY - 1986/// DO - 10.1016/0009-2509(86)85051-5 VL - 41 IS - 12 SP - 3141-3153 SN - 0009-2509 ER - TY - JOUR TI - THE AEROBIC AND PEROXIDE-INDUCED COUPLING OF AQUEOUS THIOLS .1. KINETIC RESULTS AND ENGINEERING SIGNIFICANCE AU - GILES, DW AU - CHA, JA AU - LIM, PK T2 - CHEMICAL ENGINEERING SCIENCE AB - Alkaline thiols undergo a rapid oxidative coupling reaction in the presence of oxygen or hydrogen peroxide; the oxygen reaction is catalyzed by trace copper whereas the peroxide reaction occurs spontaneously without the necessity of metal catalysis. Depending on the nature of the substrate—its molecular size and whether it contains any polar group—the disulfide, which is the coupling product, may be soluble or sparingly soluble in water. Water-soluble disulfides undergo further, although much slower, oxidation reactions to form higher oxidation products. In the oxygen reaction molecular oxygen is reduced sequentially to peroxide and then water. For n-propylthiol, the oxygen reaction has a first-order dependence on oxygen pressure and copper concentration; the reaction order with respect to thiolate changes from pseudo zeroth order to first and, then, second order as the reaction approaches completion. The peroxide reaction, on the other hand, has a strictly first-order dependence on the concentrations of thiolate and the non-dissociated hydrogen peroxide. The activation energies of the oxygen and peroxide reactions are, respectively, 9.5 ± 1.2 and 12.3 kcal/mol. A similar dependency on the kinetic parameters appears to hold for other thiols, although some variations are observed which arise from special features of individual systems. For aminothiols, the dependence on copper switches to second order below a certain catalyst concentration; for alkylthiols which form insoluble liquid disulfides, the oxygen reaction shows a pronounced sensitivity to stirring that arises from the tendency of the copper-thiolate and disulfide complexes to cluster and segregate at the water-disulfide interface. When coupled to the fact that many mercapto and sulfhydryl compounds of interest form disulfides which have low aqueous solubilities, the ease of the aerobic coupling reaction suggests that it may be used to separate soluble mercapto and sulfhydryl substances from aqueous media. DA - 1986/// PY - 1986/// DO - 10.1016/0009-2509(86)85050-3 VL - 41 IS - 12 SP - 3129-3140 SN - 0009-2509 ER - TY - JOUR TI - AEROBIC COUPLING OF AQUEOUS PHENOLS CATALYZED BY BINUCLEAR COPPER - RING SUBSTITUENT EFFECT AND THE KINETICS OF THE COUPLING OF O-METHYLPHENOL AU - CHA, JA AU - BERRY, KB AU - LIM, PK T2 - AICHE JOURNAL AB - Abstract The substituent effect on the aerobic and catalytic coupling of aqueous phenols conforms to a Hammett correlation in which the reaction constant is −2.16; the results are very similar to that of the enzymatic coupling reaction, in which the reaction constant is −2.4. Deviations from the Hammett correlation are attributed to steric factor, product inhibition, and the blocking of coupling sites on phenoxy radicals. Available evidence indicates that catalytic and enzymatic coupling reactions are strikingly similar in many respects. The striking resemblance suggests a common reaction mechanism in which binuclear metal (copper or iron) plays a key role. The common mechanistic features of the coupling reactions are suggested, and the implications of the findings are discussed with reference to (1) the design of a novel dephenolization scheme, (2) the elucidation of the widely occurring but poorly understood enzymatic coupling reactions, and (3) the synthesis of active polymer‐bound coupling catalysts. DA - 1986/3// PY - 1986/3// DO - 10.1002/aic.690320314 VL - 32 IS - 3 SP - 477-485 SN - 0001-1541 ER - TY - JOUR TI - STUDIES OF HOST-PLASMID INTERACTIONS IN RECOMBINANT MICROORGANISMS AU - BAILEY, JE AU - DASILVA, NA AU - PERETTI, SW AU - SEO, JH AU - SRIENC, F T2 - ANNALS OF THE NEW YORK ACADEMY OF SCIENCES AB - Plasmid genes redirect some components of cellular metabolism into synthesis of plasmid gene products and additional plasmids. The stoichiometric and kinetic implications of these host-plasmid interactions have been investigated theoretically and experimentally. Using known pathway energetics, maximum theoretical yield factors based on ATP, glucose, and O2 have been estimated for recombinant Escherichia coli and compared with corresponding estimates for host cells alone, indicating major changes in carbon and energetic stoichiometry in recombinant cells in cases of high cloned gene expression. The influence of the number of plasmids in recombinant E. coli has been experimentally characterized using a series of pMB1 derivatives stably propagated at copy numbers from 12 to 408. Recombinant cell growth rate declines monotonically as plasmid content increases as does efficiency of plasmid gene expression. A detailed metabolically structured single-cell model for E. coli has successfully simulated these trends. Interrelationships among number of plasmids per cell, induction of expression of a plasmid gene, and recombinant population growth rate have been experimentally delineated for Saccharomyces cerevisiae containing plasmid pLGSD5 and derivatives in which the 2-micron origin of replication has been replaced by a cloned ARS1 sequence or its deletion fragments. The CEN4 centromere sequence has been included in some of these plasmids to provide more regular segregation. Specific growth rate of these recombinant yeasts exhibits a maximum as a function of plasmid content, an effect attributed to the interplay between beneficial effects of the plasmid in selective medium and parasitic effects on metabolism at larger plasmid content or with more plasmid gene expression activity. The yeast strains investigated exhibit substantial segregational instability that was characterized using a rapid-flow cytometry measurement based upon single-cell deletion of E. coli beta-galactosidase activity in recombinant cells. DA - 1986/5/22/ PY - 1986/5/22/ DO - 10.1111/j.1749-6632.1986.tb26498.x VL - 469 SP - 194-211 SN - 0077-8923 ER - TY - JOUR TI - MECHANISTICALLY DETAILED MODEL OF CELLULAR-METABOLISM FOR GLUCOSE-LIMITED GROWTH OF ESCHERICHIA-COLI B/R-A AU - PERETTI, SW AU - BAILEY, JE T2 - BIOTECHNOLOGY AND BIOENGINEERING AB - Abstract A structured mathematical model for cellular metabolism in Escherichia coli has been extended to encompass the mechanistic structure surrounding the kinetics and control of transcription and translation. The dependence of transcription on RNA polymerase and the mechanism of translation initiation have been explicitly included. This model correctly simulates cell growth, cell composition, and the timing of chromosome synthesis as a function of extracellular substrate concentration for glucose‐limited balanced growth. Simulation results for the subpopulation of RNA polymerase engaged in transcription and for the distribution of this subpopulation among different promoter sites agree closely with experimental findings, as do calculated estimates of the active ribosomal fraction. In addition, the existence of an antitermination system for transcription of stable RNA operons is supported by model results. This model should provide a useful framework for investigating metabolic perturbations to E. coli , such as those resulting from insertion of extra‐chromosomal vectors into the cells. DA - 1986/11// PY - 1986/11// DO - 10.1002/bit.260281111 VL - 28 IS - 11 SP - 1672-1689 SN - 0006-3592 ER - TY - JOUR TI - Deposition of a-Si,Sn:H alloy films by reactive magnetron sputtering from separate Si and Sn targets AU - Parsons, G.N. AU - Cook, J.W., Jr. AU - Lucovsky, G. AU - Lin, S.Y. AU - Mantini, M.J. T2 - Journal of Vacuum Science & Technology DA - 1986/// PY - 1986/// VL - A IS - 4 SP - 470-474 ER - TY - JOUR TI - Prediction of rate constants for combustion and pyrolysis reactions by bimolecular QRRK AU - Westmoreland, Phillip AU - Howard, J. B. AU - Longwell, J. P. AU - Dean, A. M. T2 - AIChE Journal AB - Abstract Bimolecular QRRK (Quantum Rice‐Ramsperger‐Kassel) analysis is a simple method for calculating rate constants of addition and recombination reactions, based on unimolecular quantum‐RRK theory. Input parameters are readily derived, and rate constants and reaction branching can be predicted with remarkable accuracy. Such predictive power makes the method especially useful in developing mechanisms of elementary reactions. Furthermore, from the bimolecular QRRK equations, limiting forms of the rate constants in the limits of low and high pressure are developed. Addition/stabilization is pressure‐dependent at low pressure but pressure‐independent at high pressure, as is conventionally understood for simple decomposition, its reverse. In distinct contrast, addition with chemically activated decomposition has the opposite behavior: pressure independence at low pressure and pressure dependence [as (pressure) −1 ] at high pressure. The method is tested against data and illustrated by calculations for O + CO → CO 2 ; for H + O 2 → HO 2 or O + OH; for H + C 2 H 4 → C 2 H 5 or C 2 H 3 + H 2 ; and for H + C 2 H 3 → C 2 H 4 or H 2 + C 2 H 2 . DA - 1986/// PY - 1986/// DO - 10.1002/aic.690321206 VL - 32 IS - 12 SP - 1971–1979 ER - TY - JOUR TI - MOLECULAR OSMIUM AND RUTHENIUM CARBONYL CLUSTERS ON CONVENTIONALLY PREPARED CARBON-MONOXIDE HYDROGENATION CATALYSTS AU - LAMB, HH AU - KRAUSE, TR AU - GATES, BC T2 - JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS AB - Conventional MgO-supported catalysts prepared by aqueous impregnation of [H2OsCl6] and [RuCl3] are converted under conditions of catalytic hydrogenation of CO into supported molecular clusters, [Os10C(CO)24]2– and [Ru6C(CO)16]2–, respectively. DA - 1986/6/1/ PY - 1986/6/1/ DO - 10.1039/c39860000821 IS - 11 SP - 821-823 SN - 0022-4936 ER - TY - JOUR TI - MOLECULAR ORGANOOSMIUM CHEMISTRY AND CATALYSIS ON THE BASIC MAGNESIUM-OXIDE SURFACE AU - LAMB, HH AU - GATES, BC T2 - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMolecular organoosmium chemistry and catalysis on the basic magnesium oxide surfaceH. Henry. Lamb and Bruce C. GatesCite this: J. Am. Chem. Soc. 1986, 108, 1, 81–89Publication Date (Print):January 1, 1986Publication History Published online1 May 2002Published inissue 1 January 1986https://doi.org/10.1021/ja00261a014RIGHTS & PERMISSIONSArticle Views160Altmetric-Citations55LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (1000 KB) Get e-Alerts Get e-Alerts DA - 1986/1/8/ PY - 1986/1/8/ DO - 10.1021/ja00261a014 VL - 108 IS - 1 SP - 81-89 SN - 0002-7863 ER - TY - JOUR TI - AN EXAFS STUDY OF THE FORMATION OF SMALL METAL AGGREGATES ON MGO USING ORGANOMETALLIC COMPOUNDS AS PRECURSORS AU - KONINGSBERGER, DC AU - LAMB, HH AU - KIRLIN, PS AU - KELLY, MJ AU - GATES, BC T2 - JOURNAL DE PHYSIQUE AB - EXAFS measurements were carried out on very small Os and Re metal particles supported on MgO. The metal particles were formed via decompn. and subsequent redn. in H of metal carbonyl clusters. DA - 1986/12// PY - 1986/12// DO - 10.1051/jphyscol:1986848 VL - 47 IS - C-8 SP - 261-264 SN - 0302-0738 ER - TY - BOOK TI - Elementary principles of chemical processes AU - Richard M. Felder, Ronald W. Rousseau DA - 1986/// PY - 1986/// PB - New York: Wiley ER - TY - JOUR TI - EQUATION OF STATE FOR CHAIN MOLECULES - CONTINUOUS-SPACE ANALOG OF FLORY THEORY AU - DICKMAN, R AU - HALL, CK T2 - JOURNAL OF CHEMICAL PHYSICS AB - New, accurate equations of state for fluids of chain molecules are derived as generalizations of the well-known Flory and Flory–Huggins lattice theories to continuous space. Comparison with the results of new Monte Carlo simulations of athermal chains (freely jointed hard disks and spheres), extending over a wide range of densities, reveals that the generalized Flory–Huggins equation of state provides an accurate prediction for the pressure. DA - 1986/10/1/ PY - 1986/10/1/ DO - 10.1063/1.450881 VL - 85 IS - 7 SP - 4108-4115 SN - 0021-9606 ER -