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Theoretical analysis objective

A number of empirical relationships have been published which could be used to predict partition coefficients from solubility data [19-29, 65, 72, 78-97]. Comparisons among these relationships may be confusing since different sets of compounds and different solubility terms are used. A theoretical analysis of partition coefficient with reference to aqueous solubility is important because it illustrates the thermodynamic principles underlying the partitioning process. The objective of that relationship is its utility for both predicting and validating reported values for partition coefficients. [Pg.252]

The thermalization path length of subexcitation electrons has been the object of many discussions from the time the first track models appeared up to this day. The reason is that for quite a long time there were no direct methods of measuring the path lengths of slow electrons, while the corresponding theoretical analysis is very difficult owing to the need to take into account all the processes relevant to retardation of subexcitation electrons. [Pg.328]

This Section deals with the problem of MEIS comparison with the models of motion that was studied in the previous Section. However, whereas comparison was performed there on the basis of purely theoretical analysis, here it was made on the examples of specific objects. Compared are the attainable completeness and significance of the results of computing experiments, and the possibility of using these results, accuracy of the obtained estimates for the sought characteristics of the modeled system, laboriousness of calculations and preparation of initial information. [Pg.50]

In such an analysis, one selects a suitable objective function and then varies the parameters so as to maximize or minimize the function. Theoretically, the objective function should be derived using the statistical principles of maximum-likelihood estimation. In practice, however, it is satisfactory to use a weighted-least-squares analysis, as follows ... [Pg.115]

A theoretical analysis of oxalate-carbonate transformation The objective of this theoretical approach is to try to compare the equilibrium diagrams of the CaCOs—CaC204—CO2—H2O system with the biogeochemical data available on the oxalate-carbonate transformation. The initial hypothesis is that the oxido-reduction reaction of oxalate-carbonate occurs biochemically, i.e. due to bacterial activity. In other words, activation energy is present and high enough to initiate the reactions. The theoretical system studied is defined by three different phases present ... [Pg.300]

Experimental data about the properties of Mobius strip-like structures as the ladder 129a or knots like 127 are rather scarce. However, a theoretical analysis of the peculiarities of these constructions (see refs. 18a-d, 21b, 21c and literature cited therein) led to some conclusions of general importance. Thus it was established that a new phenomenon of topological chirality should be observed for compounds having the shape of trefoil knots or Mobius strips. Normally, chemists deal with chiral objects which can be (in principle) transformed into their mirror image by a continuous deformation. For... [Pg.359]

While ultimately the objective of our project will be the theoretical analysis of the behavior of complex mixtures, at this point we only can correlate our results with previously developed multicomponent models. With the objective of predicting the total amount adsorbed and the adsorbed phase composition from no more than pure-component data, only a few specially selected systems have been used in previous experimental programs to verify the various models. Hence, these relationships, which usually were derived from theoretical considerations, have not been tested sufficiently yet. Thus, they all can be classified as empirical models. [Pg.210]

The objective of this paper is to demonstrate the importance of phase and reaction equilibria considerations in the rational development of SCF reaction schemes. Theoretical analysis of phase and reaction equilibria are presented for two relatively simple reactions, viz., the isomerizations of n-hexane and 1-hexene. Our simulated conversion and yield plots compare well with experimental results reported in the literature for n-hexane isomerization (4) and obtained by us for 1-hexene isomerization. Based on our analysis, the choice of an appropriate SCF reaction medium for each of these reactions is discussed. Properties such as viscosity, surface tension and polarity can affect transport and kinetic behavior and hence should also be considered for complete evaluation of SCF solvents. These rate effects are not considered in our equilibrium study. [Pg.302]

Experimental investigations of two-phonon spectra of crystals with defects are continuing. This is what makes the further theoretical analysis of local multiple-particle states in crystals a timely object of research. [Pg.211]

ABSTRACT According to relevant documents and payment in the form of questionnaires, 224 cases of the domestic excavation accident in past two decades are collected in this paper. Based on processing and analysis of accident cases, the common risk events and factors are determined in the construction of deep excavation. Meanwhile the relativity between risk of quality and risk of safety and risk of investment is analyzed according to causes and losses of the accident, and the graph of macroscopic logical relation established between the risk of three objective dimension, which provides a reference for comprehensive risk management excavation construction process and basehne data for the theoretical analysis of risk. [Pg.401]

Although the object of this chapter is to present the concepts and practical appUcations of FFF, some theoretical background is needed. The reason is that the FFF methods are subject to a more exact theoretical analysis than most separation methods, and these theoretical treatments have become an integral part of FFF applications. For example, in sedimentation FFF the molecular mass of the species can be calculated directly from its retention time or volume without any form of empirical calibration [9]. The theoretical background necessary to utilize such theoretical assets is provided below in an abbreviated form. More complete treatments are available elsewhere [3,5,9]. [Pg.200]

As mentioned above Rydberg atom experiments in high Q superconducting cavities approach the conditions required to test the Jaynes-Cum-mings [16-18, 31-33] model of interaction between a single two-level atom and a single mode of the electromagnetic field. This model is amenable to an exact analytical solution, and has been the object of extensive theoretical analysis. A number of purely quantum-mechanical... [Pg.18]

The results of one of the many extensive experimental naphtha pyrolysis compaigns performed with the objective of verifying the exact slope of the constant selectivity lines will be discussed next. A theoretical analysis which supports the selectivity chart concept follows thereafter. [Pg.349]

The most significant approximation in the theoretical analysis is the rigid bearing assumption. Recent work by La Bouff and Booker (1) has indicated that the computation time associated with modelling bearing elasticity in a journal orbit analysis is excessive. Since the initial objective was to develop a fast journal orbit analysis, consideration of bearing elasticity was incompatible with this aim. [Pg.473]

The phenomenon of coherent destruction of tunneling (CDT) was first discovered by Grossmann et al. [16, 48-51], They considered a particle moving in a onedimensional quartic double-well potential driven by a monochromatic laser field and showed numerically that for specific values of the frequency and amplitude of the radiation, the particle is forced to stay in one of the two wells as long as the laser field is on. Since then, this intriguing phenomenon has been the object of further theoretical analysis [17, 18, 52-58], extended in various forms [20, 59-70], and demonstrated experimentally in different physical systems [71-74]. The role of CDT in processes such as the strong field ionization of diatomic molecules [75] or the proton transfer dynamics in tropolone [76] has also been discussed. [Pg.167]

The pursuit of operations research consists of (a) the judgment phase (what are the problems ), (b) the research phase (how to solve these problems), and (c) the decision phase (how to act on the finding and eliminate the problems). These phases require the evaluation of objectives, analysis of an operation and the collection of evidence and resources to be committed to the study, the (mathematical) formulation of problems, the construction of theoretical models and selection of measures of effectiveness to test the models in practice, the making and testing of hypotheses as to how well a model represents the problem, prediction, refinement of the model, and the interpretation of results (usually as possible alternatives) with their respective values (payoff). The decision-maker generally combines the findings of the... [Pg.250]


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Objective analysis

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Theoretical analysis

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