Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Conservation methods

The purpose of this paper is twofold (i) We summarize possible difficulties with the midpoint method (other than resonance instability, which has been treated extensively elsewhere) by looking at a simple (molecular) model problem, (ii) We investigate the suitability of some energy conserving methods. [Pg.283]

Time-reversible energy conserving methods can be obtained by appropriate modifications to the (time-reversible) midpoint method. Two such modifications are (i) scaling of the force field by a scalar such that total energy... [Pg.283]

The energy conserving method (6) is a close variation of the method... [Pg.284]

Note that, in loeal eoordinates. Step 2 is equivalent to integrating the equations (13). Thus, Step 2 can either be performed in loeal or in eartesian coordinates. We consider two different implicit methods for this purpose, namely, the midpoint method and the energy conserving method (6) which, in this example, coineides with the method (7) (because the V term appearing in (6) and (7) for q = qi — q2 is quadratie here). These methods are applied to the formulation in cartesian and in local coordinates and the properties of the resulting propagation maps are discussed next. [Pg.289]

We apply the semi-implicit algorithm to handle the weak potentials Vi, and the energy conserving method (16) for the stiff forces. The maximal error in the total energy, i.e. [Pg.292]

A difficulty with the energy conserving method (6), in general, is the solution of the corresponding nonlinear equations [6]. Here, however, using the initial iterate (q + A p , p ) for (q +i, p +i), even for large values of a we did not observe any difficulties with the convergence of Newton s method. [Pg.293]

Unfortunately, discretization methods with large step sizes applied to such problems tend to miss this additional force term [3]. Furthermore, even if the implicit midpoint method is applied to a formulation in local coordinates, similar problems occur [3]. Since the midpoint scheme and its variants (6) and (7) are basically identical in local coordinates, the same problem can be expected for the energy conserving method (6). To demonstrate this, let us consider the following modified model problem [13] ... [Pg.293]

Large stepsizes result in a strong reduction of the number of force field evaluations per unit time (see left hand side of Fig. 4). This represents the major advantage of the adaptive schemes in comparison to structure conserving methods. On the right hand side of Fig. 4 we see the number of FFTs (i.e., matrix-vector multiplication) per unit time. As expected, we observe that the Chebyshev iteration requires about double as much FFTs than the Krylov techniques. This is due to the fact that only about half of the eigenstates of the Hamiltonian are essentially occupied during the process. This effect occurs even more drastically in cases with less states occupied. [Pg.407]

There are four modes of radioactive decay that are common and that are exhibited by the decay of naturally occurring radionucHdes. These four are a-decay, j3 -decay, electron capture and j3 -decay, and isomeric or y-decay. In the first three of these, the atom is changed from one chemical element to another in the fourth, the atom is unchanged. In addition, there are three modes of decay that occur almost exclusively in synthetic radionucHdes. These are spontaneous fission, delayed-proton emission, and delayed-neutron emission. Lasdy, there are two exotic, and very long-Hved, decay modes. These are cluster emission and double P-decay. In all of these processes, the energy, spin and parity, nucleon number, and lepton number are conserved. Methods of measuring the associated radiations are discussed in Reference 2 specific methods for y-rays are discussed in Reference 1. [Pg.448]

The finite-element method (FEM) is based on shape functions which are defined in each grid cell. The imknown fimction O is locally expanded in a basis of shape fimctions, which are usually polynomials. The expansion coefficients are determined by a Ritz-Galerkin variational principle [80], which means that the solution corresponds to the minimization of a functional form depending on the degrees of freedom of the system. Hence the FEM has certain optimality properties, but is not necessarily a conservative method. The FEM is ideally suited for complex grid geometries, and the approximation order can easily be increased, for example by extending the set of shape fimctions. [Pg.148]

In some cases, detailed dispersion modeling tools may not be available or their use is not warranted. To calculate the size of the flammable portion in the vapor cloud, other less precise, though sufficiently conservative, methods are available. Reference 5 cites a number of company, insurance, and governmental practices for estimating quantities of materials that could become involved in an explosion or fire. Some conservative approaches for determining the quantities of materials released include ... [Pg.23]

This paper evaluates the applicability of the modified precipitation rate equation in predicting the discharge duration of a calciting well compared to the observed utilization history and the results of the conservative method from direct deposition of excess calcite. Three wells in Mindanao Geothermal Production Field (MGPF) with documented output decline due to calcite deposition were studied, namely APOID, SP4D, and MD1D. [Pg.59]

However, predicted concentrations do not always accurately reflect those measured this is due to several reasons, including variation in consumption patterns throughout the year, the use of an inaccurate excretion rate /excreted UV exposure setting off unavoidable photodegradation processes during sampling and transportation, inappropriate sample conservation methods and adsorption onto particulates present in wastewater [34, 49],... [Pg.149]

In the light of the preceding paragraph it appears that the most conservative method for computing scattering coefficients is to compute Dn and jn by downward recurrence and yn by upward recurrence (recall that 4>n = pj and... [Pg.128]

Because the present nonlinear method is an outgrowth of the linear ones, it is not surprising that such useful techniques as the reblurring discussed in Chapter 3 may be adapted. Other elements of Chapter 3 may be borrowed as well, including memory-conserving methods of programming (Section... [Pg.108]

Greene, R. (Ed.), Process Energy Conservation Methods and Technology, reprints from Chemical Engineering, McGraw-Hill Publications, New York (1982). [Pg.158]

DeMouthe, Jean Frances Natural materials sources, properties, and uses 1. Natural products - Conservation and restoration 2. Museum conservation methods I. Title 069.5 3... [Pg.209]

In our experience the Newton and Quasi-Newton methods with the line search described is faster to reach a minimum than the restricted step method with confidence region. This latter method is a more "conservative" method as discussed in the results section. The restricted step methods, however, are very effective in searching for transition states [40,41]. [Pg.260]

Further analysis of the fabrication techniques employed in the production of these examples also is necessary. The Etowah bundle, for example, should be unfolded, while using correct conservation methods, and its structure should be subjected to detailed scrutiny. Only then can its relation to the fragments from the same burial on display in the Etowah Mound Museum and other Mississippian fabrics be known. When more data about the phenomenon of fabric pseudomorphism are obtained, then questions associated with the Tunacunnhee objects can be answered. Certainly the relationship between alternate-pair twined fabric found in both sites in Georgia deserves further study. [Pg.273]

In the following discussion a number of conservation methods commonly used to treat archaeological artifacts are examined for their eflFects on subsequent technical examination. The preservation of archaeological textiles, waterlogged wood, archaeological bone and ivory, cuneiform tablets, and marine iron are among the problems considered. [Pg.26]

Whereas penetrating injuries are less common today, the number of blunt injuries has increased, frequently accompanied by liver rupture. A liver injury is involved in up to 40% of patients with blunt abdominal trauma. Conservative treatment is recommended as far as possible in order to avoid unnecessary laparotomy. (353) The overall mortality rates were 11.8% and 16.8%, respectively. (345, 347) In many cases, the urgency of the situation does not allow the requisite examinations (e.g. US, CT (350, 352), angiography, laparoscopy) to be made -an emergency operation has to be performed. Such an operation must even be done under shock if the patient does not respond directly to conservative methods. [Pg.872]

To use the palladium-conserving method of production, the method described above is used. The only difference is that the PdC12 is replaced by a mixture of 1.8 grams of PdC12, and 5 grams of CuCl. Yield in this case is more like 80%, or a little over 200 ml of phenylacetone. [Pg.46]


See other pages where Conservation methods is mentioned: [Pg.281]    [Pg.283]    [Pg.283]    [Pg.294]    [Pg.295]    [Pg.296]    [Pg.82]    [Pg.271]    [Pg.33]    [Pg.255]    [Pg.27]    [Pg.180]    [Pg.180]    [Pg.127]    [Pg.85]    [Pg.419]    [Pg.219]    [Pg.115]    [Pg.316]    [Pg.143]    [Pg.358]    [Pg.361]    [Pg.138]    [Pg.853]    [Pg.195]    [Pg.308]    [Pg.91]   
See also in sourсe #XX -- [ Pg.13 , Pg.30 , Pg.123 , Pg.140 , Pg.144 , Pg.147 , Pg.158 , Pg.308 ]




SEARCH



© 2024 chempedia.info