Molecular modeling of interfaces between cellulose crystals and surrounding molecules: Effects of caprolactone surface grafting

A technical problem in cellulosic nanocomposite materials is the weak interaction between hydrophilic cellulose and hydrophobic polymer matrices. One approach to solve this difficulty is to chemically graft monomers of the matrix polymer onto the cellulose surface. An important question is to understand the effect such surface modification has on the interfacial properties. Semi-empirical approaches to estimate work of adhesion based on surface energies do not provide information on specific molecular interactions. Details about these interactions were obtained using molecular dynamics (MD) simulation. Cellulose interfaces with water and caprolactone medium were modeled with different amounts of grafted caprolactone. The modification lead to an increased work of adhesion between the surface and its surrounding medium. Furthermore, the MD simulations showed that the interaction between cellulose, both modified and non-modified, and surrounding medium is dominated by Coulomb interactions, predominantly as hydrogen bonds.     

Amended Formula for the Decay of Radioactive Material for Cosmic Times

An amended formula for the decay of radioactivematerial is presented. It is a modification of thestandard exponential formula. The new formula appliesfor long cosmic times comparable to the Hubble time. It reduces to the standard formula for shorttimes. It is shown that the material decays faster thanexpected. The application of the new formula to directmeasurements of the age of the universe and its implications are briefly discussed.     

Investigation of the combustion of fumes of organochlorine wastes in oxygen environment

An experimental study of the kinetic stage of combustion fumes of organochlorine wastes. We obtained the data on the normal speed of propagation of the flame, and other parameters of the flame front. Also we found an effective constant of the reaction rate and determined requirements for reactors of a high-temperature oxidation of organochlorine waste.     

Pseudo-Hyperkähler Geometry and Generalized Kähler Geometry

We discuss the conditions for additional supersymmetry and twisted super-symmetry in N = (2, 2) supersymmetric nonlinear sigma models described by one left and one right semi-chiral superfield and carrying a pair of non-commuting complex structures. Focus is on linear non-manifest transformations of these fields that have an algebra that closes off-shell. We find that additional linear supersymmetry has no interesting solution, whereas additional linear twisted supersymmetry has solutions with interesting geometrical properties. We solve the conditions for invariance of the action and show that these solutions correspond to a bi-hermitian metric of signature (2, 2) and a pseudo-hyperkähler geometry of the target space.     

Swelling of dextran gel and osmotic pressure of soluble dextran in the presence of salts

The swelling of dextran gels (Sephadex) in salt solutions with a water activity of 0.937, compared with the swelling in pure water, exhibited anion specificity as evidenced by an increased swelling ratio in the following order: Na₂SO₄ < H₂O < NaCl < NaSCN. The swelling ratio showed a good linear correlation with the osmotic pressure of dextran (500 kD) in these solutions. The salt‐concentration difference (imbalance) between the polymer‐solution side of the membrane and the polymer‐free permeate side during the osmotic‐pressure measurements positively correlated with the effect of the salt on the polymer osmotic pressure. These phenomena conform to Hofmeister‐type (or lyotropic) behavior. The diminishing augmentation of dextran osmotic pressure and the change in the salt‐concentration imbalance with rising NaSCN concentration imply a positive preferential interaction and adsorption of the salt onto the polymer. © 2001 John Wiley & Sons, Inc. J Polym Sci Part B: Polym Phys 39: 2740–2750, 2001     

Radical ring‐opening polymerization of five‐membered cyclic vinyl sulfone using p‐toluenesulfonyl halides

Radical ring‐opening polymerizations of a five‐membered cyclic vinyl sulfone monomer, 2‐vinylthiolane‐1,1‐dioxide (VTDO), was carried out by using p‐toluenesulfonyl iodide (TosI) and bromide (TosBr) as radical initiators, and the corresponding ring‐opened polymer (PVTDO) was obtained. Both TosI and TosBr were found to work as the radical initiators for the polymerization of VTDO in bulk. The use of TosI gave PVTDOs with a broad, multimodal distribution of molecular weight in low yields. When 10 mol % of TosBr was employed, the isolated yield of PVTDO reached 49%, and the obtained PVTDO had a relatively narrow, monomodal molecular weight distribution of 1.8 with an M_n of 4100. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013     

Quantum states and potentialities of quantum systems

In a previous article it was shown that in general quantum states represent perspectives on the potentialities of quantum systems, rather than the potentialities themselves. In the present paper the following questions are investigated in the context of this result: (1) How do quantum states which undergo collapse transform under pure translations? (2) Under what conditions do quantum states represent the potentialities themselves? Two alternatives are presented in response to the first question: (1) Quantum states are scalars under translations. (2) The collapse of a quantum state propagates between frames of reference at the speed of light. The advantages and disadvantages of the two alternatives are discussed. The response to the second question is shown to depend on the chosen alternative. In addition, the second alternative is shown to lead to a consistent view of quantum states as “potential perspectives on potentialities.”