A modern approach to the solution and analysis of the Simha-Somcynsky model for the description of pressure-volume-temperature properties of polymer fluids

We revisit the Simha-Somcynsky model of polymer fluids with the purpose of developing novel theoretical and computational approaches to simplify and speed up its solution as well as the fitting of experimental data, and decrease its level of mathematical complexity. We report a novel method that allows us to solve one of the two equations of the model exactly, thus putting the level of mathematical difficulty on a par with the one of other models for polymer fluids. Moreover, we describe a computational algorithm capable of fitting all five parameters of the model in an unbiased way. The results obtained reproduce literature results and fit experimental pressure-volume-temperature and solubility parameter data for three polymers very accurately. Moreover, the new techniques allow for the investigation of the model at very low temperatures. Unexpectedly, the model predicts behaviors that could be interpreted as a glass transition, as routinely observed in dilatometry and differential scanning calorimetry, and a glass phase. We compared the predicted and experimental T g’s for cis poly(1,4-butadiene) and found an excellent quantitative agreement.     

T1Effects in Sequential Dynamic Susceptibility Contrast Experiments

Residual effects of an initial bolus of gadolinium contrast agent have been previously demonstrated in sequential dynamic susceptibility contrast MR experiments. While these residual effects quickly reach a saturation steady state, their etiology is uncertain, and they can lead to spurious estimates of hemodynamic parameters in activation experiments. The possible influence ofT₁effects is now investigated with experiments in whichT₁weighting is varied as well as with serial regionalT₁measurements. Little evidence for significant residualT₁effects is found, suggesting instead that susceptibility effects underlie these observations. An initial saturation dose of contrast agent minimizes this effect.     

Resonances in Three-Body Systems Studied by a Full Angular-Momentum, Smooth-Exterior Complex-Scaling Finite-Element Method

 The development of a tool for calculating resonances and bound states in three-body systems described by a single-potential energy surface is reported. The method has been applied to the antiprotonic helium, doubly excited states in helium, the ¹¹Li nuclear halo, the NeICl van der Waals molecule, and the recently found FHD reaction complex. Received November 26, 2001; accepted for publication November 28, 2001     

Strongly polynomial-time approximation for a class of bicriteria problems

Consider the following problem: given a ground set and two minimization objectives of the same type find a subset from a given subset-class that minimizes the first objective subject to a budget constraint on the second objective. Using Megiddo's parametric method we improve an earlier weakly polynomial time algorithm.     

Linearized Stability of Charged Thin-Shell Wormholes

The linearized stability of charged thin shell wormholes under spherically symmetric perturbations is analyzed. It is shown that the presence of a large value of charge provides stabilization to the system, in the sense that the constraints onto the equation of state are less severe than for non-charged wormholes.     

Kinetics of the thermal decomposition of bis(trifluoromethyl) peroxydicarbonate,CF3OC(O)OOC(O)OCF3

Thermal decomposition of bis(trifluoromethyl) peroxydicarbonate has been studied. The mechanism of decomposition is a simple bond fission, homogeneous first‐order process when the reaction is carried out in the presence of inert gases such as N₂ or CO. An activation energy of 28.5 kcal mol^?1 was determined for the temperature range of 50–90°C. Decomposition is accelerated by nitric oxide because of a chemical attack on the peroxide forming substances different from those formed with N₂ or CO. An interpretation on the influence of the substituents in different peroxides on the O? O bond is given. © 2002 Wiley Periodicals, Inc. Int J Chem Kinet 35: 15–19, 2003     

Identifying several biased coins encountered by a hidden random walk

Suppose that attached to each site z ∈ ? is a coin with bias θ(z), and only finitely many of these coins have nonzero bias. Allow a simple random walker to generate observations by tossing, at each move, the coin attached to its current position. Then we can determine the biases {θ(z)}_z∈?, using only the outcomes of these coin tosses and no information about the path of the random walker, up to a shift and reflection of ?. This generalizes a result of Harris and Keane. © 2004 Wiley Periodicals, Inc. Random Struct. Alg., 2004