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Dynamic formula

NONADIABATIC CHEMICAL DYNAMICS formula is obtained as follows from Eq.(89) ... [Pg.137]

Assume a principle timescale, T, has been identified for study dictated by the principle phenomenological effect of interest (e.g., a thermal response study). Once the value of this timescale is known, the integration time step, At, is then chosen so as to provide enough information (solution data) to allow an accurate picture of the transient, e.g., 1/100th of T. Once the value for At is known, then the type of formulation (quasi-steady formula versus the fundamental dynamic formula) of each individual physical phenomena can be selected (see Table 9.2). [Pg.279]

An interpreter that combines static and dynamic formulas and provides a result. [Pg.353]

Driven pile Side and end All Dynamic formula—WEAP Analysis... [Pg.250]

We will exploit this ability to develop general process dynamic formulas as much as possible, concentrating on transfer functions that commonly arise in describing the dynamic behavior of industrial processes. This chapter covers the simplest transfer functions first-order processes, integrating units, and second-order processes. In Chapter 6 the responses of more complicated transfer functions will be discussed. To keep the results as general as possible, we now consider several standard process inputs that are used to characterize the behavior of many actual processes. [Pg.74]

For second-order reaction, data processing formulae are different for the equal and unequal initial concentration of reactants. In accordance with the principle of dynamics, according to [7—9], when the initial concentrations of reactants are equal, setups of the initial concentration are both cO, then the dynamic formula for the reaction... [Pg.17]

When a b the dynamic formula for second-order reaction is... [Pg.18]

A reasonable approach for achieving long timesteps is to use implicit schemes [38]. These methods are designed specifically for problems with disparate timescales where explicit methods do not usually perform well, such as chemical reactions [39]. The integration formulas of implicit methods are designed to increase the range of stability for the difference equation. The experience with implicit methods in the context of biomolecular dynamics has not been extensive and rather disappointing (e.g., [40, 41]), for reasons discussed below. [Pg.238]

To compute the above expression, short molecular dynamics runs (with a small time step) are calculated and serve as exact trajectories. Using the exact trajectory as an initial guess for path optimization (with a large time step) we optimize a discrete Onsager-Machlup path. The variation of the action with respect to the optimal trajectory is computed and used in the above formula. [Pg.275]

Most potential energy surfaces are extremely complex. Fiber and Karplus analyzed a 300 psec molecular dynamics trajectory of the protein myoglobin. They estimate that 2000 thermally accessible minima exist near the native protein structure. The total number of conformations is even larger. Dill derived a formula to calculate the upper bound of thermally accessible conformations in a protein. Using this formula, a protein of 150 residues (the approx-... [Pg.14]

The thermal glass-transition temperatures of poly(vinyl acetal)s can be determined by dynamic mechanical analysis, differential scanning calorimetry, and nmr techniques (31). The thermal glass-transition temperature of poly(vinyl acetal) resins prepared from aliphatic aldehydes can be estimated from empirical relationships such as equation 1 where OH and OAc are the weight percent of vinyl alcohol and vinyl acetate units and C is the number of carbons in the chain derived from the aldehyde. The symbols with subscripts are the corresponding values for a standard (s) resin with known parameters (32). The formula accurately predicts that resin T increases as vinyl alcohol content increases, and decreases as vinyl acetate content and aldehyde carbon chain length increases. [Pg.450]

The goal is to apply the formulas, the K values, and the pipe and connections friction values to determine the Hf and Hv, plus the Hs and Hp, and then the TDH, total dynamic head in the system. Then we can specify a pump for this application. [Pg.101]

All conditions listed in the section titled Load Capacities, subsection titled Mast and Derricks under Dynamic Conditions," are to be specified by the user. Forces resulting from wind and vessel motion are to be calculated in accordance with the formulas presented in the section titled Design Specifications, paragraphs titled Wind, Dynamic Loading (Induced by Floating Hull Motion). ... [Pg.510]

In a balanced chemical equation (commonly called a chemical equation ), the same number of atoms of each element appears on both sides of the equation, chemical equilibrium A dynamic equilibrium between reactants and products in a chemical reaction, chemical formula A collection of chemical symbols and subscripts that shows the composition of a substance. See also condensed structural formula empirical formula,- molecular formula structural formula. [Pg.944]

Now we can visualize the dynamic system from the drawings. So, we are able to perfectly explain our ideas from the drawings and by using the formulae. [Pg.303]


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See also in sourсe #XX -- [ Pg.72 ]




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