@article {2050, title = {Adsorption and Structure of Water on Kaolinite Surfaces: Possible Insight into lee Nucleation from Grand Canonical Monte Carlo Calculations}, journal = {Journal of Physical Chemistry A}, volume = {112}, number = {43}, year = {2008}, note = {ISI Document Delivery No.: 364TGTimes Cited: 6Cited Reference Count: 29Croteau, T. Bertram, A. K. Patey, G. N.}, month = {Oct}, pages = {10708-10712}, type = {Article}, abstract = {Grand canonical Monte Carlo calculations are used to determine water adsorption and structure on defect-free kaolinite surfaces as a function of relative humidity at 235 K. This information is then used to gain insight into ice nucleation on kaolinite surfaces. Results for both the SPC/E and TIP5P-E water models are compared and demonstrate that the Al-surface [(001) plane] and both protonated and unprotonated edges [(100) plane] strongly adsorb at atmospherically relevant relative humidities. Adsorption on the Al-surface exhibits properties of a first-order process with evidence of collective behavior, whereas adsorption on the edges is essentially continuous and appears dominated by strong water lattice interactions. For the protonated and unprotonated edges no structure that matches hexagonal ice is observed. For the Al-surface some of the water molecules formed hexagonal rings. However, the a. lattice parameter for these rings is significantly different from the corresponding constant for hexagonal ice (Ih). A misfit strain of 14.0\% is calculated between the hexagonal pattern of water adsorbed on the Al-surface and the basal plane of ice Ih. Hence, the ring structures that form on the Al-surface are not expected to be good building-blocks for ice nucleation due to the large misfit strain.}, keywords = {AEROSOL-PARTICLES, ice, IMPACT, LAYER, models, N2O5, SIMULATIONS, SYSTEMS, VAPOR}, isbn = {1089-5639}, url = {://000260357600002}, author = {Croteau, T. and Bertram, A. K. and Patey, G. N.} } @inbook {654, title = {Synthesis of poly(N,N-dimethylacrylamide) brushes from functionalized latex surfaces by aqueous atom transfer radical polymerization}, booktitle = {Advances in Controlled/Living Radical Polymerization}, series = {Acs Symposium Series}, volume = {854}, year = {2003}, note = {ISI Document Delivery No.: BW85KTimes Cited: 7Cited Reference Count: 30Proceedings Paper224th National Meeting of the American-Chemical-SocietyAUG 17-22, 2002BOSTON, MASSACHUSETTSAmer Chem Soc1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA}, pages = {316-330}, publisher = {Amer Chemical Soc}, organization = {Amer Chemical Soc}, address = {Washington}, abstract = {Negatively charged, ATRP initiator functionalized polystyrene latexes were synthesized and N,N-dimethylacrylamide was polymerized from their surfaces by aqueous ATRP using several catalyst combinations. Very high grafting densities and molecular weights were achieved with good polydispersities. The brushes exhibited a strong repulsive force that increased with molecular weight in atomic force microscopy measurements. Hydrodynamic thicknesses were consistent with theory. Polymerization from these surfaces is very different from ATRP in solution and depends on monomer concentration in solution, type of catalyst, and surface initiator concentration. The observations were explained with an electrostatic model of the surface region that predicts an increase in the local concentration of Cu(I) and Cu(II) catalyst complexes.}, keywords = {ADSORPTION, BLOCK-COPOLYMERS, density, FORCE MICROSCOPE, INITIATED POLYMERIZATIONS, LAYER, MEDIA, POLYMERS, SELF-ASSEMBLED MONOLAYERS}, isbn = {0097-61560-8412-3854-5}, url = {://000183406500022}, author = {Kizhakkedathu, J. N. and Goodman, D. and Brooks, D. E.}, editor = {Matyjaszewski, K.} } @article {4271, title = {Complications in investigations of the swelling of hydrogel matrices due to the presence of trapped gas}, journal = {Journal of Controlled Release}, volume = {52}, number = {1-2}, year = {1998}, note = {ISI Document Delivery No.: ZC530Times Cited: 13Cited Reference Count: 11}, month = {Mar}, pages = {221-225}, type = {Article}, abstract = {In recent studies, NMR imaging has been used to investigate the swelling of hydroxypropylmethylcellulose (HPMC) tablets and to determine polymer concentration distributions in the swollen matrix. The total amount of polymer in the system was computed from these distributions and was up to 35\% greater than the known weight of HPMC in the tablet. This deviation was traced to the presence of air bubbles in the swollen matrix which occupied a significant volume previously assumed to be occupied by polymer and water. When the air in the tablet was removed by vacuum, the swollen gel contained no evidence of air bubbles and the calculated total polymer weights from the HPMC distributions were equal to the amount of HPMC in the tablet. (C) 1998 Elsevier Science B.V.}, keywords = {BEHAVIOR, CONTROLLED RELEASE, DRUG-RELEASE, GEL, HPMC TABLETS, hydrophilic matrix tablet, hydroxypropylmethylcellulose, IMAGING METHOD, LAYER, MECHANISMS, NMR imaging, RELEASE DOSAGE FORMS, swelling}, isbn = {0168-3659}, url = {://000072589600022}, author = {Fyfe, C. A. and Blazek, A. I.} } @article {3856, title = {LEED crystallographic analysis for the Rh(111)-(2x1)-O surface structure}, journal = {Surface Science}, volume = {360}, number = {1-3}, year = {1996}, note = {ISI Document Delivery No.: UX923Times Cited: 29Cited Reference Count: 32}, month = {Jul}, pages = {137-143}, type = {Article}, abstract = {A tensor LEED analysis is reported For the Rh(111)-(2 x 1)-O surface structure in which atoms in the O overlayer chemisorb close to the regular (fcc type) three-fold hollow sites for half-monolayer coverage. The structure shows significant relaxations: for example, a buckling of about 0.07 Angstrom is indicated in the first metal layer and O appears to displace laterally by about 0.05 Angstrom. The individual O-Rh bond lengths are around 2.01 and 1.92 Angstrom to top layer Rh atoms, which bond to two and one O atoms, respectively, but the average value (1.98 Angstrom) is close to that in bulk RhO2 (1.96 Angstrom). Comparison is also made with the previously determined O-Rh bond lengths in the Rh(110)-p2mg(2 x 1) surface structure.}, keywords = {CLOSE-PACKED SURFACE, EJECTION, ENERGY-ELECTRON-DIFFRACTION, LAYER, low energy electron diffraction, low index single crystal surfaces, OXYGEN, P(2X2)O/RH(111), RECONSTRUCTION, RELAXATIONS, RH(111), rhodium, surface relaxations, THERMAL-DESORPTION}, isbn = {0039-6028}, url = {://A1996UX92300022}, author = {Wong, K. C. and Liu, W. and Mitchell, K. A. R.} }