The effects of water on the morphology and the swelling behavior of sulfonated poly(ether ether ketone) films

Thin sulfonated poly(ether ether ketone) films swell excessively in water. The extent of water-induced swelling is shown to be correlated with the optical anisotropy of the films, due to two distinct phenomena. Firstly, the optical anisotropy is directly related to the amount of water taken up from the surrounding ambient atmosphere, and thus to amount of water present in the material just prior to swelling. Secondly, the optical anisotropy corresponds to internal stresses in the film that affect the free energy of the film, and thus the potential of the film to swell. The anisotropy vanishes upon sorption of liquid water and returns when the water is desorbed. When the water is completely removed, the film changes from more or less colorless to an intense yellow color that can be attributed to molecular assembly of the aromatic rings in the polymer backbone. The color change is reversible and occurs immediately upon exposure to low humidity. For films prepared in the absence of water, the lack of hydration of the sulfonic acid groups affects the microphase separation behavior of the polymer. This is manifested by an apparent lower propensity to water-induced swelling. The possibility to affect the properties of sulfonated polymer films by varying the hydration state of the polymer during preparation can have important implications for applications of such films

Ferromagnetic phase transition in a Heisenberg fluid: Monte Carlo simulations and Fisher corrections to scaling

The magnetic phase transition in a Heisenberg fluid is studied by means of the finite size scaling (FSS) technique. We find that even for larger systems, considered in an ensemble with fixed density, the critical exponents show deviations from the expected lattice values similar to those obtained previously. This puzzle is clarified by proving the importance of the leading correction to the scaling that appears due to Fisher renormalization with the critical exponent equal to the absolute value of the specific heat exponent $\alpha$. The appearance of such new corrections to scaling is a general feature of systems with constraints.Comment: 12 pages, 2 figures; submitted to Phys. Rev. Let

Phase diagrams of classical spin fluids: the influence of an external magnetic field on the liquid-gas transition

The influence of an external magnetic field on the liquid-gas phase transition in Ising, XY, and Heisenberg spin fluid models is studied using a modified mean field theory and Gibbs ensemble Monte Carlo simulations. It is demonstrated that the theory is able to reproduce quantitatively all characteristic features of the field dependence of the critical temperature T_c(H) for all the three models. These features include a monotonic decrease of T_c with rising H in the case of the Ising fluid as well as a more complicated nonmonotonic behavior for the XY and Heisenberg models. The nonmonotonicity consists in a decrease of T_c with increasing H at weak external fields, an increase of T_c with rising H in the strong field regime, and the existence of a minimum in T_c(H) at intermediate values of H. Analytical expressions for T_c(H) in the large field limit are presented as well. The magnetic para-ferro phase transition is also considered in simulations and described within the mean field theory.Comment: 14 pages, 12 figures (to be submitted to Phys. Rev. E

Bond graphs in model matching control

Bond graphs are primarily used in the network modeling of lumped parameter physical systems, but controller design with this graphical technique is relatively unexplored. It is shown that bond graphs can be used as a tool for certain model matching control designs. Some basic facts on the nonlinear model matching problem are recalled. The model matching problem is then associated with a particular disturbance decoupling problem, and it is demonstrated that bicausal assignment methods for bond graphs can be applied to solve the disturbance decoupling problem as to meet the model matching objective. The adopted bond graph approach is presented through a detailed example, which shows that the obtained controller induces port-Hamiltonian error dynamics. As a result, the closed loop system has an associated standard bond graph representation, thereby rendering energy shaping and damping injection possible from within a graphical context

Monte Carlo study of the magnetic critical properties of the two-dimensional Ising fluid

A two-dimensional fluid of hard spheres each having a spin $\pm 1$ and interacting via short-range Ising-like interaction is studied near the second order phase transition from the paramagnetic gas to the ferromagnetic gas phase. Monte Carlo simulation technique and the multiple histogram data analysis were used. By measuring the finite-size behaviour of several different thermodynamic quantities,we were able to locate the transition and estimate values of various static critical exponents. The values of exponents $\beta/\nu$ and $\gamma/\nu$ are close to the ones for the two-dimensional lattice Ising model. However, our result for the exponent $\nu =1.35$ is very different from the one for the Ising universality class.Comment: 6 pages, 8 figures. To appear in Phys. Rev.

Nonequilibrium molecular dynamics simulation of rapid directional solidification

We present the results of non-equilibrium molecular dynamics simulations for the growth of a solid binary alloy from its liquid phase. The regime of high pulling velocities, $V$, for which there is a progressive transition from solute segregation to solute trapping, is considered. In the segregation regime, we recover the exponential form of the concentration profile within the liquid phase. Solute trapping is shown to settle in progressively as $V$ is increased and our results are in good agreement with the theoretical predictions of Aziz [J. Appl. Phys. {\bf 53}, 1158 (1981)]. In addition, the fluid advection velocity is shown to remain directly proportional to $V$, even at the highest velocities considered here ($V\simeq10$ms$^{-1}$).Comment: Submitted to Phys. Rev.

On Quantum State Observability and Measurement

We consider the problem of determining the state of a quantum system given one or more readings of the expectation value of an observable. The system is assumed to be a finite dimensional quantum control system for which we can influence the dynamics by generating all the unitary evolutions in a Lie group. We investigate to what extent, by an appropriate sequence of evolutions and measurements, we can obtain information on the initial state of the system. We present a system theoretic viewpoint of this problem in that we study the {\it observability} of the system. In this context, we characterize the equivalence classes of indistinguishable states and propose algorithms for state identification

Identifying inhibitory compounds in lignocellulosic biomass hydrolysates using an exometabolomics approach

BACKGROUND: Inhibitors are formed that reduce the fermentation performance of fermenting yeast during the pretreatment process of lignocellulosic biomass. An exometabolomics approach was applied to systematically identify inhibitors in lignocellulosic biomass hydrolysates. RESULTS: We studied the composition and fermentability of 24 different biomass hydrolysates. To create diversity, the 24 hydrolysates were prepared from six different biomass types, namely sugar cane bagasse, corn stover, wheat straw, barley straw, willow wood chips and oak sawdust, and with four different pretreatment methods, i.e. dilute acid, mild alkaline, alkaline/peracetic acid and concentrated acid. Their composition and that of fermentation samples generated with these hydrolysates were analyzed with two GC-MS methods. Either ethyl acetate extraction or ethyl chloroformate derivatization was used before conducting GC-MS to prevent sugars are overloaded in the chromatograms, which obscure the detection of less abundant compounds. Using multivariate PLS-2CV and nPLS-2CV data analysis models, potential inhibitors were identified through establishing relationship between fermentability and composition of the hydrolysates. These identified compounds were tested for their effects on the growth of the model yeast, Saccharomyces. cerevisiae CEN.PK 113-7D, confirming that the majority of the identified compounds were indeed inhibitors. CONCLUSION: Inhibitory compounds in lignocellulosic biomass hydrolysates were successfully identified using a non-targeted systematic approach: metabolomics. The identified inhibitors include both known ones, such as furfural, HMF and vanillin, and novel inhibitors, namely sorbic acid and phenylacetaldehyde

On local linearization of control systems

We consider the problem of topological linearization of smooth (C infinity or real analytic) control systems, i.e. of their local equivalence to a linear controllable system via point-wise transformations on the state and the control (static feedback transformations) that are topological but not necessarily differentiable. We prove that local topological linearization implies local smooth linearization, at generic points. At arbitrary points, it implies local conjugation to a linear system via a homeomorphism that induces a smooth diffeomorphism on the state variables, and, except at "strongly" singular points, this homeomorphism can be chosen to be a smooth mapping (the inverse map needs not be smooth). Deciding whether the same is true at "strongly" singular points is tantamount to solve an intriguing open question in differential topology