A study of the hydrolysis pathway in oxalic acid catalyzed reacting TMOS-water mixtures under ultrasound stimulation

The hydrolysis of TMOS in oxalic acid catalyzed reacting TMOS-water mixtures, under ultrasound stimulation, was studied by fitting a simplified dissolution and reaction modeling for samples, the hydrolysis rate of which had been measured in a previous work. The reaction pathway represented in a ternary diagram shows a heterogeneous step for the reaction which gradually progresses until complete homogenization of the system. Besides the water dissolved due to the homogenizing effect of the alcohol, ultrasound maintains a virtual and additional dissolution of water located at the interface between the TMOS and water during the heterogeneous step of the reaction. The mean radius of the heterogeneity represented by water dispersed in TMOS was evaluated as around 150 Angstrom. The oxalic acid concentration accordingly increases the hydrolysis rate constant but its fundamental role on the solubility of water in TMOS could not unequivocally be established.

Application of a new reverse Monte Carlo algorithm to polyatomic molecular systems. I. Liquid water

Using a new reverse Monte Carlo algorithm, we present simulations that reproduce very well several structural and thermodynamic properties of liquid water. Both Monte Carlo, molecular dynamics simulations and experimental radial distribution functions used as input are accurately reproduced using a small number of molecules and no external constraints. Ad hoc energy and hydrogen bond analysis show the physical consistency and limitations of the generated RMC configurations. (C) 2001 American Institute of Physics.

An evolutionary algorithm for the one-dimensional cutting stock problem

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Location and contract pricing of distributed generation using a genetic algorithm

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Transmission system expansion planning by a branch-and-bound algorithm

A branch and bound (B& B) algorithm using the DC model, to solve the power system transmission expansion planning by incorporating the electrical losses in network modelling problem is presented. This is a mixed integer nonlinear programming (MINLP) problem, and in this approach, the so-called fathoming tests in the B&B algorithm were redefined and a nonlinear programming (NLP) problem is solved in each node of the B& B tree, using an interior-point method. Pseudocosts were used to manage the development of the B&B tree and to decrease its size and the processing time. There is no guarantee of convergence towards global optimisation for the MINLP problem. However, preliminary tests show that the algorithm easily converges towards the best-known solutions or to the optimal solutions for all the tested systems neglecting the electrical losses. When the electrical losses are taken into account, the solution obtained using the Garver system is better than the best one known in the literature.

Using traditional heuristic algorithms on an initial genetic algorithm population applied to the transmission expansion planning problem

This paper analyses the impact of choosing good initial populations for genetic algorithms regarding convergence speed and final solution quality. Test problems were taken from complex electricity distribution network expansion planning. Constructive heuristic algorithms were used to generate good initial populations, particularly those used in resolving transmission network expansion planning. The results were compared to those found by a genetic algorithm with random initial populations. The results showed that an efficiently generated initial population led to better solutions being found in less time when applied to low complexity electricity distribution networks and better quality solutions for highly complex networks when compared to a genetic algorithm using random initial populations.

Downregulation of nuclear factor-kappa B (NF-kappa B) pathway by silibinin in human monocytes challenged with Paracoccidioides brasiliensis

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Distribution Transformer Modeling for Application in Three-Phase Power Flow Algorithm

In this paper, it is presented a methodology for three-phase distribution transformer modeling, considering several types of transformer configuration, to be used in algorithms of power flow in three-phase radial distribution networks. The paper provides a detailed discussion about the models and the results from an implementation of the power flow algorithm. The results, taken from three different networks, are presented for several transformer configurations and for voltage regulators as well.

An implementation of modified scatter search algorithm to transmission expansion planning

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Another prefiltering algorithm for adaptive IIR filtering

An algorithm for adaptive IIR filtering that uses prefiltering structure in direct form is presented. This structure has an estimation error that is a linear function of the coefficients. This property greatly simplifies the derivation of gradient-based algorithms. Computer simulations show that the proposed structure improves convergence speed.

Combining genetic algorithm and simulated annealing: A molecular geometry optimization study

We introduce a new hybrid approach to determine the ground state geometry of molecular systems. Firstly, we compared the ability of genetic algorithm (GA) and simulated annealing (SA) to find the lowest energy geometry of silicon clusters with six and 10 atoms. This comparison showed that GA exhibits fast initial convergence, but its performance deteriorates as it approaches the desired global extreme. Interestingly, SA showed a complementary convergence pattern, in addition to high accuracy. Our new procedure combines selected features from GA and SA to achieve weak dependence on initial parameters, parallel search strategy, fast convergence and high accuracy. This hybrid algorithm outperforms GA and SA by one order of magnitude for small silicon clusters (Si6 and Si10). Next, we applied the hybrid method to study the geometry of a 20-atom silicon cluster. It was able to find an original geometry, apparently lower in energy than those previously described in literature. In principle, our procedure can be applied successfully to any molecular system. © 1998 Elsevier Science B.V.

Algorithm for computing the propagator for higher derivative gravity theories

A simple algorithm for computing the propagator for higher derivative gravity theories based on the Barnes-Rivers operators is presented. The prescription is used, among other things, to obtain the propagator for quadratic gravity in an unconventional gauge. We also find the propagator for both gravity and quadratic gravity in an interesting gauge recently baptized the Einstein gauge [Hitzer and Dehnen, Int. J. Theor. Phys. 36 (1997), 559].

VAr planning using genetic algorithm and linear programming

A combined methodology consisting of successive linear programming (SLP) and a simple genetic algorithm (SGA) solves the reactive planning problem. The problem is divided into operating and planning subproblems; the operating subproblem, which is a nonlinear, ill-conditioned and nonconvex problem, consists of determining the voltage control and the adjustment of reactive sources. The planning subproblem consists of obtaining the optimal reactive source expansion considering operational, economical and physical characteristics of the system. SLP solves the optimal reactive dispatch problem related to real variables, while SGA is used to determine the necessary adjustments of both the binary and discrete variables existing in the modelling problem. Once the set of candidate busbars has been defined, the program implemented gives the location and size of the reactive sources needed, if any, to maintain the operating and security constraints.