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Model eight-parameter

Liu and Zhong introduced a number of QSPR models based on molecular connectivity indices [151, 152], In a first iteration, the researchers developed polymer-dependent correlations descriptors were calculated for a set of solvents and models were developed per polymer type [151], Polymer classes under consideration were polystyrene, polyethylene, poly-1-butene, poly-l-pentene, poly(4-methyl-l-pentene), polydimethylsiloxane, and polyisobutylene. As the authors fail to provide any validation for their models, it is difficult to asses their predictive power. In a subsequent iteration and general expansion of this study, mixed and therefore more general models based on the calculated connectivity indices of both solvent and polymers were developed. While it is unclear from the paper which polymer representation was used for the calculation of the connectivity indices, the best regression model (eight parameter model) yields only acceptable predictive power (R = 0.77, = 0.77, s = 34.47 for the training set, R = 0.75... [Pg.140]

Consequently, modeling of a two-phase flow system is subject to both the constraints of the hydrodynamic equations and the constraint of minimizing N. Such modeling is a nonlinear optimization problem. Numerical solution on a computer of this mathematical system yields the eight parameters ... [Pg.572]

What is the equivalent eight-parameter linear model expressing y, as a function of Xj, and X3 Use matrix least squares (regression analysis) to fit this linear model to the data. How are the classical factor effects and the regression factor effects related. Draw the sums of squares and degrees of freedom tree. How many degrees... [Pg.357]

Again, certain terms are turned on or turned off to correspond to a particular factor combination ij. Notice that Equation 15.39 has eight parameters Equation 15.32 has only six parameters. It would appear that the two models are not equivalent... [Pg.385]

Tavare and Garside ( ) developed a method to employ the time evolution of the CSD in a seeded isothermal batch crystallizer to estimate both growth and nucleation kinetics. In this method, a distinction is made between the seed (S) crystals and those which have nucleated (N crystals). The moment transformation of the population balance model is used to represent the N crystals. A supersaturation balance is written in terms of both the N and S crystals. Experimental size distribution data is used along with a parameter estimation technique to obtain the kinetic constants. The parameter estimation involves a Laplace transform of the experimentally determined size distribution data followed a linear least square analysis. Depending on the form of the nucleation equation employed four, six or eight parameters will be estimated. A nonlinear method of parameter estimation employing desupersaturation curve data has been developed by Witkowki et al (S5). [Pg.10]

This model comprises eight parameters, that is, two frequency factors, two activation energies, three exponents for the reaction orders, and the initial conversion. It is often used in a simplified form, with all reaction orders equal to one ... [Pg.316]

The optimized parameters for the kinetic model used to describe the catalytic reactions of the three oxygenates are listed in Table VII. In this analysis, eight parameters were found to be sensitive, and the 95% confidence limits are given for these parameters in Table VII. The solid curves in Figs. 11-13 represent predictions of the kinetic model under various reaction conditions. Good agreement is achieved between the predictions of the model and the experimental reaction kinetics for all three reactions. [Pg.230]

This is a nonlinear optimization problem with eight parameters and nine constraints, called energy-minimization multi-scale (EMMS) modeling, from which the parameter vector X and various energy consumptions can be calculated. [Pg.171]

The EMMS model is a nonlinear optimization problem involving eight parameters and nine constraints consisting of both equalities and inequalities,... [Pg.171]

The creep test is a simple and inexpensive test for viscoelastic foods which provides valuable information on the rheological parameters. Davis (1973) pointed out that indeed too much information can be obtained from the creep test. For example, an eight-parameter rheological model defined by eleven parameters was required for shortening and lard. One drawback with creep studies using concentric cylinder systems is that the materials structure is disturbed when the sample is being loaded. [Pg.119]

Wang and Charles Han calculated the electron affinities of aldehydes and ketones by using the parameterized Huckel theory. Eight parameters were used to calculate the electron affinities of 16 compounds with a deviation of only 0.05 eV. However, some of the data were not published until the 1970s [35]. By measuring relative electron capture coefficients and scaling to the acetophenone data, more precise electron affinities could be obtained. This was further support for the validity of the ECD model. M. J. S. Dewar reproduced the experimental electron affinities of aromatic hydrocarbons using the MINDO/3 method and calculated Ea from reduction potentials [36]. [Pg.33]

Barrow [772] derived a kinetic model for sorption of ions on soils. This model considers two steps adsorption on heterogeneous surface and diffusive penetration. Eight parameters were used to model sorption kinetics at constant temperature and another parameter (activation energy of diffusion) was necessary to model kinetics at variable T. Normal distribution of initial surface potential was used with its mean value and standard deviation as adjustable parameters. This surface potential was assumed to decrease linearly with the amount adsorbed and amount transferred to the interior (diffusion), and the proportionality factors were two other adjustable parameters. The other model parameters were sorption capacity, binding constant and one rate constant of reaction representing the adsorption, and diffusion coefficient of the adsorbate in tire solid. The results used to test the model cover a broad range of T (3-80°C) and reaction times (1-75 days with uptake steadily increasing). The pH was not recorded or controlled. [Pg.537]

With the inclusion of the geometric parameters, an eight-parameter model was developed, which included two of the geometric parameters ... [Pg.109]

Using all subsets regression with the selected Us and HBi as independent variables resulted in an eight-parameter model ... [Pg.110]

Since the model contains two enzymes, each affected by two reservoir species, there is a total of eight parameters (four K s, and four r s) needed to describe the behavior of the system for given reservoir concentrations. This set of parameters specifies a regulatory pattern which determines the response of the system under differing external concentrations of the reservoirs. The system constitutes a network in which the elements (chemical species) are connected by the described reactions and by regulatory links specified by the regulatory pattern. [Pg.108]

It requires eight parameters (Ao, Bo, Co, a, b, c, a, and y) that are specific to the fluid. The Benedict-Webb-Rubin equation is modeled after the virial equation and expresses pressure as a finite sum of powers of i/V, up to the sixth power. The exponential term on the right is meant to account for the higher terms of the series that have been dropped. A modified form of this equation was used by Lee and Keslera in the calculation of Zm and Zw. This equation is not cubic but its subcritical isotherms have the same general behavior as those in Figure 2-12. namely, they exhibit an unstable part where the isotherm has a positive slope. [Pg.71]

There is no need here to solve this differential equation formally, since the same result can be achieved by superimposing the polymer concrete creep test results from the Maxwell and Kelvin models. This is possible since the eight-parameter model is simply the Kelvin and Maxwell models in series. Thus, the desired solution of Equation 4.42 is obtained ... [Pg.83]

As can be seen, a model with eight parameters na = 4, nb = 4, nk = l(or/ , the dead time) leaves 4% of the output variation unexplained. For models with more parameters, there is little advantage in reducing the model error, the percentage unexplained output remains around 4%, this will be primarily process noise. [Pg.335]

On the basis of a consensus reached with the CAPRI community, a total of eight parameters are evaluated. " Two assess residue-residue contacts between the docked proteins. f nat is the fraction of intersubunit residue-residue contacts present in the X-ray structure of the target that are reproduced (recalled) in the model (residues are deemed in contact if any of their atoms are within 5 A) f non-nat is the fraction of residue contacts in... [Pg.150]

By combining two Carreau-Yasuda equations, an eight parameter model is obtained that would meet all the likely typical features of the shear viscosity behavior of filled polymer systems. [Pg.312]

Purpose To determine, from eight initial experiments performed under certain conditions, whether the three controlled parameters have an effect on the measurement, and which model is to be used. This factorial approach to optimization is an alternative to the use of multidimensional simplex algorithms it has the advantage of remaining transparent to the user. [Pg.371]

Note that it is not possible in this case to carry out the three-site analysis on the whole-polymer HMR data alone. There are only eight known values (the eight pentads) and seven parameters. Mathematically, it is therefore difficult to apply the three-site model. Fractionation data have to be used. [Pg.180]


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