Optimization technique based on learning automata

Optimization techniques are finding increasingly numerous applications in process design, in parallel to the increase of computer sophistication. The process synthesis problem can be stated as a largescale constrained optimization problem involving numerous local optima and presenting a nonlinear and nonconvex character. To solve this kind of problem, the classical optimization methods can lead to analytical and numerical difficulties. This paper describes the feasibility of an optimization technique based on learning systems which can take into consideration all the prior information concerning the process to be optimized and improve their behavior with time. This information generally occurs in a very complex analytical, empirical, or know-how form. Computer simulations related to chemical engineering problems (benzene chlorination, distillation sequence) and numerical examples are presented. The results illustrate both the performance and the implementation simplicity of this method.Nomenclature c _i penalty probability - cp precision parameter on constraints - D variation domain of the variablex - f(·) objective function - g(·) constraints - i,j indexes - k iteration number - N number of actions - P probability distribution vector - p _i ith component of the vectorP as iterationk - r number of reactors in the flowsheet - u(k) discrete value or action chosen by the algorithm at iterationk - u _i discrete value of the optimization variable in [u _min,u _max] - u _min lowest value of the optimization variable - u _max largest value of the optimization variable - Z random number - x variable for the criterion function - xp precision parameter on criterion function - W(k) performance index unit output at iterationk - ₀, ₁ reinforcement scheme parameters - _p sum of the probability distribution vector components     

Sur une conjecture de M. Kac

Summary We consider the following heat conduction problem. Let K be a compact set in Euclidean space ³. Suppose that K is held at the temperature 1, while the surrounding medium is at the temperature 0 at time 0. Following Spitzer we investigate the asymptotic behaviour of the integral E _K (t) which represents the total energy flow in time t from the set K to the surrounding medium ³–K. An asymptotic expansion is given for E _K (t) which refines a theorem due to Spitzer. This expansion also verifies and improves a formal calculation of Kac. Similar results are proved in higher dimensions. Up to the constant m(K), the quantity E _K (t) can be interpreted as the expected value of the volume of the Wiener sausage associated with K and a d-dimensional Brownian motion. This point of view both plays a major role in the proofs and leads to a probabilistic interpretation of the different terms of the expansion.     

LiCoO2中锂离子固相扩散系数随循环次数的变化

The solid diffusion coefficient of lithium-ion in LiCoO₂ cathode material has been investigated by the capacity intermittent titration technique (CITT) at different voltages and at different charge/discharge cycles. By SEM, XRD and FTIR techniques, the structure of LiCoO₂ was studied before and after charge-discharge cycles, and the relationship between solid diffusion coefficient and crystal structure was further discussed. CITT results show that the value of Li⁺ solid diffusion coefficient of LiCoO₂ is about 10^-12 cm²·s^-1. During the whole charge-discharge cycles, the Li⁺ solid diffusion coefficient decreased within the voltage of 4.0～4.3 V, which is attributed to the change of the structure of LiCoO₂.     

AB initio study of the regular polyhedral molecules N4, P4, As4, N8, P8 and As8

Ab initio pseudopotential SCF calculations were performed on tetrahedral X₄ molecules using double-zeta basis sets with and without d functions. The inclusion of d orbitals shortens the bond lengths, stabilizes the X₄ structures and intensifies the electron density inside the tetrahedron. The cubic X₈ molecules, calculated without d AOs, are not predicted to be more stable than 2X₄. Repulsions between parallel bonds in X₈ may compensate the lack of ring strain.     

Nouveaux thiochlorures de molybdène(II): Mo6Cl10Y (Y = S,Se, Te): Structure et propriétés magnétiques et électriques

The thiochlorides Mo₆Cl₁₀Y (Y = S, Se, Te) have been prepared; they are isostructural with Nb₆I₁₁, space group Pccn, and have four formula units per unit cell. The X-ray structure of Mo₆Cl₁₀Se has been determined from three-dimensional single-crystal counter data and refined to a final R value of 0.053 for 3350 independent reflections. The most important result concerning this structure is a statistical distribution of the Se atom on the unit (Mo₆X′₈) with $\text{X′ ?}\text{7}\text{8}\text{Cl}\text{+}\text{1}\text{8}\text{Se}$: so the compound Mo₆Cl₁₀Se must be formulated $\text{(Mo}{}_6\text{Cl}{}_7\text{Se)Cl}{}_{\mathrm{<mtext>4</mtext><mtext>2</mtext>}}\text{Cl}{}_{\mathrm{<mtext>2</mtext><mtext>2</mtext>}}$. The diamagnetic and dielectric behavior of these new thiochlorides is discussed.     

Numerical computation of the electrostatic interaction energy between methanol and the dyad water-imidazole

Summary The electrostatic interaction energy between methanol and the dyad water-imidazole has been computed numerically at three levels of approximation from 3D grids of the charge density of one partner and the electrostatic potential of the other. The minimum positions and energy values thus obtained compare well with those calculated analytically. The numerical procedure is especially interesting for the prediction of the stable conformers.     

Synthesis of oxychelerythrine using lithiated toluamide-benzonitrile cycloaddition

Oxychelerythrine, benzo[c]phenanthridine alkaloid, was synthesized from easily available starting toluamide 5 and benzonitrile 6 using toluamide-benzonitrile cycloaddition reaction in 6 steps.