Solubility and partial molar volume of carbon dioxide and ethane in crosslinked poly(ethylene oxide) copolymer

Experimental solubility and sorptive dilation data are reported for carbon dioxide and ethane in a crosslinked poly(ethylene oxide) (XLPEO) rubbery copolymer. Five different temperatures (253 ≤ T(K) ≤ 308) were considered, with a maximum gas pressure of 2.09 MPa (20.6 atm). The polymer was prepared by photopolymerization of a solution containing 70 wt % poly(ethylene glycol) methyl ether acrylate (PEGMEA) and 30 wt % poly(ethylene glycol) diacrylate (PEGDA). Sorption isotherms were described by the Flory‐Huggins model. For each gas, the Flory‐Huggins interaction parameter was a decreasing function of temperature and did not show a composition dependence. Dilation and sorption data were combined to calculate the partial molar volume (PMV) of the gases in the polymer, which was an increasing function of temperature. Based on a comparison with literature data for a XLPEO homopolymer prepared from pure PEGDA over the same range of operating conditions, an effect of the network composition on both gas solubility and PMV was found. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 456–468, 2010     

Inclusion of exact exchange for self-interaction corrected H3 density functional potential energy surface

The effect of the inclusion of the exact exchange into self-interaction corrected generalized gradient approximation density functional theory (GGA-DFT) for the simplest hydrogen abstraction reaction, H + H₂ → H₃ → H₂ + H, is presented using a triple-zeta augmented 6-311++G(d,3pd) basis set. The introduction of the self-interaction correction has a considerably larger effect on molecular geometry and vibrational frequencies than the inclusion of the exact exchange. We investigate the influence of the self-interaction error on the shape of the potential energy surface around the transition state of the hydrogen abstraction reaction. The decomposition of the self-interaction error into correlation and exchange parts shows that the exchange self-interaction error is the main component of the energy barrier error. The best agreements with the experimental barrier height were achieved by self-interaction corrected B3LYP, B-LYP and B3PW functionals with errors of 1.5, 2.9 and 3.0 kcal/mol, respectively. Received: 13 August 1997 / Accepted: 14 November 1997     

Synthesis and Chemistry of Bicyclo[4.1.0]hept-1,6-ene

Bicyclo[4.1.0]hept-1,6-ene has been generated by elimination of 1-chloro-2-(trimethysilyl)bicyclo[4.1.0]heptane in the gas phase over solid fluoride at 25 degrees C. The cyclopropene dimerizes by a rapid ene reaction forming two diastereomeric cyclopropenes. In tetrahydrofuran or chloroform the ene dimers couple to form a single crystalline triene tetramer, whereas a mixture of tricyclohexane tetramers is formed when the neat dimers are allowed to warm to room temperature. Oxidation by dimethyldioxirane or dioxygen gives carbonyl products. Quantum mechanical calculations yielded an increase in strain of approximately 17 kcal/mol over that for 1,2-dimethylcyclopropene. The potential enegy barrier to flexing (folding) along the fused double bond of bicyclo[4.1.0]hept-1,6-ene is only approximately 1 kcal/mol at the highest level of theory investigated.     

Large Kr‐free subgraphs in Ks‐free graphs and some other Ramsey‐type problems

In this paper we present three Ramsey‐type results, which we derive from a simple and yet powerful lemma, proved using probabilistic arguments. Let 3 ≤ r < s be fixed integers and let G be a graph on n vertices not containing a complete graph K_s on s vertices. More than 40 years ago Erd?s and Rogers posed the problem of estimating the maximum size of a subset of G without a copy of the complete graph K_r. Our first result provides a new lower bound for this problem, which improves previous results of various researchers. It also allows us to solve some special cases of a closely related question posed by Erd?s. For two graphs G and H, the Ramsey number R(G, H) is the minimum integer N such that any red‐blue coloring of the edges of the complete graph K_N, contains either a red copy of G or a blue copy of H. The book with n pages is the graph B_n consisting of n triangles sharing one edge. Here we study the book‐complete graph Ramsey numbers and show that R(B_n, K_n) ≤ O(n³/log^3/2n), improving the bound of Li and Rousseau. Finally, motivated by a question of Erd?s, Hajnal, Simonovits, Sós, and Szemerédi, we obtain for all 0 < δ < 2/3 an estimate on the number of edges in a K₄‐free graph of order n which has no independent set of size n^1‐δ. © 2004 Wiley Periodicals, Inc. Random Struct. Alg., 2005     

Generalized phase-shifting interferometry by use of a direct stochastic algorithm for global search

A new phase-shifting interferometric technique that uses an unknown phase step is described in which the phase step is determined by use of an algorithm called Probabilistic Global Search Lausanne (PGSL). One of the main sources of error in phase stepping is piezoelectric device (PZT) nonlinearity. The PGSL algorithm identifies the characteristics of the response of the PZT to the applied voltage through matching predicted and measured responses. The unknown phase step is also calculated with 0.097% error. This approach overcomes the limitations of existing techniques to determine unknown phase steps. Linear regression is subsequently applied for interference phase determination.     

Average shape of transport-limited aggregates

We study the relation between stochastic and continuous transport-limited growth models. We derive a nonlinear integro-differential equation for the average shape of stochastic aggregates, whose mean-field approximation is the corresponding continuous equation. Focusing on the advection-diffusion-limited aggregation (ADLA) model, we show that the average shape of the stochastic growth is similar, but not identical, to the corresponding continuous dynamics. Similar results should apply to DLA, thus explaining the known discrepancies between average DLA shapes and viscous fingers in a channel geometry.     

New approach for the removal of metal ions from water: adsorption onto aquatic plants and microwave reaction for the fabrication of nanometals

We adsorb heavy metal ions such as Ag(+), Pb(2+), and Ru(3+) onto an aquatic plant and convert the adsorbed ions to the corresponding nanometallic particles by the polyol reaction carried out in a microwave oven.     

The Turán Number Of The Fano Plane

  Let PG₂(2) be the Fano plane, i. e., the unique hypergraph with 7 triples on 7 vertices in which every pair of vertices is contained in a unique triple. In this paper we prove that for sufficiently large n, the maximum number of edges in a 3-uniform hypergraph on n vertices not containing a Fano plane is