Assignment of fundamental vibrations of. ,N'-dimethylthiourea,

The infrared spectra of symmetric N,N′-dimethylthiourea (s-DMTU) and its N-deuterated (s-DMTU-d2) species have been measured. The fundamental frequencies have been assigned by comparison with the assignments in structurally related molecules and the infrared band shifts on N-deuteration, S-methylation, available Raman data and with the aid of theoretical band assignments from normal coordinate treatments for s-DMTU-d0 and -d2. A force field is derived for s-DMTU by transferring the force constants chiefly from N-methylthiourea and the subsequent refinement of the force constants by a least squares procedure.

Identification of parameters in unconfined aquifers

A method is presented for identification of parameters in unconfined aquifers from pumping tests, based on the optimisation of the objective function using the least squares approach. Four parameters are to be evaluated, namely: The hydraulic conductivity in the radial and the vertical directions, the storage coefficient and the specific yield. The sensitivity analysis technique is used for solving the optimisation problem. Besides eliminating the subjectivity involved in the graphical procedure, the method takes into account the field data at all time intervals without classifying them into small and large time intervals and does not use the approximation that the ratio of the storage coefficient to the specific yield tends to zero. Two illustrative examples are presented and it is found that the parameter estimates from the computational and graphical procedures differ fairly significantly.

Adsorption isitherms for neutral organic compounds-A hierarchy in modelling: Part IV. Charge of maximum adsorption-Statistical mechanical basis

The charge at which adsorption of orgamc compounds attains a maximum ( \sigma MAX M) at an electrochenucal interface is analysed using several multi-state models in a hierarchical manner The analysis is based on statistical mechamcal results for the following models (A) two-state site parity, (B) two-state muhl-slte, and (C) three-state site parity The coulombic interactions due to permanent and reduced dipole effects (using mean field approximation), electrostatic field effects and specific substrate interactions have been taken into account. The simplest model in the hierarchy (two-state site parity) yields the exphcit dependence of ( \sigma MAX M) on the permanent dipole moment, polarizability of the solvent and the adsorbate, lattice spacing, effective coordination number, etc Other models in the baerarchy bring to hght the influence of the solvent structure and the role of substrate interactions, etc As a result of this approach, the "composition" of oM.x m terms of the fundamental molecular constants becomes clear. With a view to use these molecular results to maxamum advantage, the derived results for ( \sigma MAX M) have been converted into those involving experimentally observable parameters lake Co, C 1, E N, etc Wherever possible, some of the earlier phenomenologlcal relations reported for ( \sigma MAX M), notably by Parsons, Damaskm and Frumkln, and Trasattl, are shown to have a certain molecular basis, vlz a simple two-state sate panty model.As a corollary to the hxerarcbacal modelling, \sigma MAX M and the potential corresponding to at (Emax) are shown to be constants independent of 0max or Corg for all models The lmphcatlon of our analysis f o r OmMa x with respect to that predicted by the generalized surface layer equation (which postulates Om~ and Ema x varlaUon with 0) is discussed in detail Finally we discuss an passing o M. and the electrosorptlon valency an this context.

Estimation of cosmological parameters from neutral hydrogen observations of the post-reionization epoch

The emission from neutral hydrogen (HI) clouds in the post-reionization era (z <= 6), too faint to be individually detected, is present as a diffuse background in all low frequency radio observations below 1420MHz. The angular and frequency fluctuations of this radiation (similar to 1 mK) are an important future probe of the large-scale structures in the Universe. We show that such observations are a very effective probe of the background cosmological model and the perturbed Universe. In our study we focus on the possibility of determining the redshift-space distortion parameter beta, coordinate distance r(nu), and its derivative with redshift r(nu)('). Using reasonable estimates for the observational uncertainties and configurations representative of the ongoing and upcoming radio interferometers, we predict parameter estimation at a precision comparable with supernova Ia observations and galaxy redshift surveys, across a wide range in redshift that is only partially accessed by other probes. Future HI observations of the post-reionization era present a new technique, complementing several existing ones, to probe the expansion history and to elucidate the nature of the dark energy.

Effect of wave parameters on flood wave subsidence

A detailed analy~is on the propagation of a sinusoidal flood wave in a wide prismatic open channel b.as hen made by numc? ii.~ll~integrating We govemins nondimenional equations of unsteady flow in an open chamei. EmpE:dsis has been laid on the effect of wave parmefen on th propagation of 6.8 sinusoidal wave. Results show that the amount of subsidence is more in the case of small wave anplltude and wave duration cases. Further, wave duration has been noticed to have a relatively Vier influence on subsidence than wave amplitude. The speed at which the peak of the wave moves is observed to be a function of only the wave amplitude.

Diffusion Parameters in the Nb-Mo System: Revisited

The variation of the interdiffusion coefficient with the change in composition in the Nb-Mo system is determined in the temperature range of 1800 °C to 1900 °C. It was found that the activation energy has a minimum at around 45 at. pct Nb. The values of the pre-exponential factor and the activation energy for diffusion are compared with the data available in the literature. Further, the impurity diffusion coefficients of Nb in Mo and Mo in Nb are calculated.

Space-Time Codes Achieving the DMD Tradeoff of the MIMO-ARQ Channel

For the quasi-static, Rayleigh-fading multiple-input multiple-output (MIMO) channel with n(t) transmit and n(r) receive antennas, Zheng and Tse showed that there exists a fundamental tradeoff between diversity and spatial-multiplexing gains, referred to as the diversity-multiplexing gain (D-MG) tradeoff. Subsequently, El Gamal, Caire, and Damen considered signaling across the same channel using an L-round automatic retransmission request (ARQ) protocol that assumes the presence of a noiseless feedback channel capable of conveying one bit of information per use of the feedback channel. They showed that given a fixed number L of ARQ rounds and no power control, there is a tradeoff between diversity and multiplexing gains, termed the diversity-multiplexing-delay (DMD) tradeoff. This tradeoff indicates that the diversity gain under the ARQ scheme for a particular information rate is considerably larger than that obtainable in the absence of feedback. In this paper, a set of sufficient conditions under which a space-time (ST) code will achieve the DMD tradeoff is presented. This is followed by two classes of explicit constructions of ST codes which meet these conditions. Constructions belonging to the first class achieve minimum delay and apply to a broad class of fading channels whenever n(r) >= n(t) and either L/n(t) or n(t)kslashL. The second class of constructions do not achieve minimum delay, but do achieve the DMD tradeoff of the fading channel for all statistical descriptions of the channel and for all values of the parameters n(r,) n(t,) L.

Swarm intelligence-based solver for parameter estimation of laboratory through-diffusion transport of contaminants

Theoretical approaches are of fundamental importance to predict the potential impact of waste disposal facilities on ground water contamination. Appropriate design parameters are generally estimated be fitting theoretical models to data gathered from field monitoring or laboratory experiments. Transient through-diffusion tests are generally conducted in the laboratory to estimate the mass transport parameters of the proposed barrier material. Thes parameters are usually estimated either by approximate eye-fitting calibration or by combining the solution of the direct problem with any available gradient-based techniques. In this work, an automated, gradient-free solver is developed to estimate the mass transport parameters of a transient through-diffusion model. The proposed inverse model uses a particle swarm optimization (PSO) algorithm that is based on the social behavior of animals searching for food sources. The finite difference numerical solution of the forward model is integrated with the PSO algorithm to solve the inverse problem of parameter estimation. The working principle of the new solver is demonstrated and mass transport parameters are estimated from laboratory through-diffusion experimental data. An inverse model based on the standard gradient-based technique is formulated to compare with the proposed solver. A detailed comparative study is carried out between conventional methods and the proposed solver. The present automated technique is found to be very efficient and robust. The mass transport parameters are obtained with great precision.

Nucleation parameters for polymer crystallization from non-isothermal thermal analysis

Differential scanning calorimetry (DSC) has been used to obtain kinetic and nucleation parameters for polymer crystallization under a non-isothermal mode of operation. The available isothermal nucleation growth-rate equation has been modified for non-isothermal kinetic analysis. The values of the nucleation constant (K g ) and surface free energies (sgr, sgr e ) have been obtained for i-polybutene-1, i-polypropylene, poly(L-lactic acid), and polyoxymethylene and are compared with those obtained from isothermal kinetic analysis; a good agreement in both is seen.

Effect of experimental parameters on non-isothermal TG

The effect of some experimental parameters, namely sample weight, particle size and its distribution, heating rate and flow rate of inert gas, on the fractional decomposition of calcium carbonate samples have been studied both experimentally and theoretical. The general conclusions obtained from theoretical analysis are corroborated qualitatively by the experimental data. The analysis indicates that the kinetic compensating effect may be partly due to the variations in experimental parameters for different experiments.

Isomerization Dynamics In Solution In The Absence Of An Activation Barrier - Evaluation Of The Potential Parameters

We analyze recent experimental results of Sundström and Gillbro by using the theory of Bagchi, Fleming and Oxtoby. The experimental results are in good agreement with this theory, but not with the earlier theory of Förster and Hoffmann. By fitting the new experimental results to the theory, we obtain approximate estimates of the frequency of the excited surface (assumed harmonic) and the width of the sink function.

Study of Friction and Transfer Layer Formation in Copper-Steel Tribo-System: Role of Surface Texture and Roughness Parameters

In the present investigation, experiments were conducted on a tribological couple-copper pin against steel plate-using an inclined pin-on-plate sliding tester to understand the role of surface texture and roughness parameters of the plate on the coefficient friction and transfer layer formation. Two surface characteristics of the steel plates-roughness and texture-were varied in the tests. It was observed that the transfer layer formation and the coefficient of friction along with its two components, namely, the adhesion and plowing, are controlled by the surface texture of the plate. The plowing component of friction was highest for the surface texture that promotes plane strain conditions while it was lowest for the texture that favors plane stress conditions at the interface. Dimensionless quantifiable roughness parameters were formulated to describe the degree of plowing and hence the plane strain/stress type deformations taking place at the asperity level.

Optimal simultaneous maximum a posterioriestimation of states, noise statistics and parameters I. Algorithm

The simultaneous state and parameter estimation problem for a linear discrete-time system with unknown noise statistics is treated as a large-scale optimization problem. The a posterioriprobability density function is maximized directly with respect to the states and parameters subject to the constraint of the system dynamics. The resulting optimization problem is too large for any of the standard non-linear programming techniques and hence an hierarchical optimization approach is proposed. It turns out that the states can be computed at the first levelfor given noise and system parameters. These, in turn, are to be modified at the second level.The states are to be computed from a large system of linear equations and two solution methods are considered for solving these equations, limiting the horizon to a suitable length. The resulting algorithm is a filter-smoother, suitable for off-line as well as on-line state estimation for given noise and system parameters. The second level problem is split up into two, one for modifying the noise statistics and the other for modifying the system parameters. An adaptive relaxation technique is proposed for modifying the noise statistics and a modified Gauss-Newton technique is used to adjust the system parameters.

Optimal simultaneous maximum a posterioriestimation of states, noise statistics and parameters II. Numerical performance

A very general and numerically quite robust algorithm has been proposed by Sastry and Gauvrit (1980) for system identification. The present paper takes it up and examines its performance on a real test example. The example considered is the lateral dynamics of an aircraft. This is used as a vehicle for demonstrating the performance of various aspects of the algorithm in several possible modes.

Performance parameters of some new hybrid hypergols

Abstract is not available.