Modeling nature definition

There are some scientists and philosophers who still claim that a model by definition "furnishes a concrete image" and "does not constitute a theory." 10 But if the model is the mathematical description, then the question of whether the model is the theory appears to become moot, since most people accept the view that rigorous mathematical deduction constitutes theory. For others, like Hesse and Kuhn, even if the model is a concrete image leading to the mathematical description, it still has explanatory or theoretical meaning, for, as Kuhn put it, "it is to Bohr s model, not to nature, that the various terms of the Schrodinger equation refer." 11 Indeed, as is especially clear from a consideration of mathematical models in social science, where social forces are modeled by functional relations or sets of mathematical entities, the mathematical model turns out to be so much simpler than the original that one immediately sees the gap between a "best theory" and the "real world." 12... 

In the simple bond charge model for the diatomic AB, the natural definition of the electronegativity of atom A, in the final molecule after charge transfer, has the form... 

As early as the 1940s, radical copolymerization models were already developed to describe specific features of the process. Initially, these models were relatively simple models where the reactivity of chain-ends was assumed to depend only on the nature of the terminal monomer unit in the growing chain (Mayo-Lewis model or terminal model (TM)). This model by definition leads to first-order Markov chains. 

Metal-solution interfaces are of obvious importance to corrosion, but they are particularly difficult to model. By definition, the interface comprises that part of the system in which the intensive variables of the two adjoining phases differ from their respective bulk values, and even in concentrated solutions this implies a thickness of the order of 15-20 A. This is too large to be modeled solely by density functional theory (DFT), which surface scientists often use as a panacea for the metal-gas interface. In addition, the two adjoining phases are of very different nature metals are usually solid at ambient temperatures, and their properties do not differ too much from those at 0 K, so that DFT, or semiempirical force fields like the embedded atom method, are good methods for their investigation. By contrast, the molecules in solutions are highly mobile, and thermal averaging is indispensable. Therefore, the two parts of the interface usually require different models, and an important part of the art consists in their combination. 

The cage system is treated quantum mechanically. In the original version of the model all valence electrons were included and to allow a natural definition of the cage, orthogonalized atomic hybrid orbitals were used as a basis set [215]. This allows to avoid problems with the saturation of dangling bonds since all hybrids on the same atom may belong to the cage with a wave function obtained by solution of a closed-shell secular equation. 

The Critical Potential The nature of the critical potential, (see Fig. 30) was addressed in the framework of this model. No definite conclusions are established. may be the balance point between the smoothing action of surface diffusion and the roughening action of dissolution. Another explanation regards E as a threshold potential above which percolation becomes possible within a connected subset of A-type atoms with lowered reactivity due to their atomic surrounding (high-density percolation problem). 

This derivation of the ionic model provides not only a natural definition of a bond, but it also defines the scope of the model. The assumptions on which the derivation is based show that far from being confined to compotmds whose bonds have ionic character, the ionic model can be used for any valence compound. It can be used to describe not just NaCl but also SFs, CO2, CH4, CH3COOH, and O2, all of which have networks with bipartite graphs. 

No single method or algorithm of optimization exists that can be apphed efficiently to all problems. The method chosen for any particular case will depend primarily on (I) the character of the objective function, (2) the nature of the constraints, and (3) the number of independent and dependent variables. Table 8-6 summarizes the six general steps for the analysis and solution of optimization problems (Edgar and Himmelblau, Optimization of Chemical Processes, McGraw-HiU, New York, 1988). You do not have to follow the cited order exac tly, but vou should cover all of the steps eventually. Shortcuts in the procedure are allowable, and the easy steps can be performed first. Steps I, 2, and 3 deal with the mathematical definition of the problem ideutificatiou of variables and specification of the objective function and statement of the constraints. If the process to be optimized is very complex, it may be necessaiy to reformulate the problem so that it can be solved with reasonable effort. Later in this section, we discuss the development of mathematical models for the process and the objec tive function (the economic model). 

Assume that oscillatory excitation torque of Tq sin cot is applied to the system in Figure 9-14. By definition, when the excitation frequency coincides with the torsional natural frequency of the model, all torques will balance and the system will be in a state of resonance. 

This is an indication of the collective nature of the effect. Although collisions between hard spheres are instantaneous the model itself is not binary. Very careful analysis of the free-path distribution has been undertaken in an excellent old work [74], It showed quite definite although small deviations from Poissonian statistics not only in solids, but also in a liquid hard-sphere system. The mean free-path X is used as a scaling length to make a dimensionless free-path distribution, Xp, as a function of a free-path length r/X. In the zero-density limit this is an ideal exponential function (Ap)o- In a one-dimensional system this is an exact result, i.e., Xp/(Xp)0 = 1 at any density. In two dimensions the dense-fluid scaled free-path distributions agree quite well with each other, but not so well with the zero-density scaled distribution, which is represented by a horizontal line (Fig. 1.21(a)). The maximum deviation is about... 

Previous theoretical kinetic treatments of the formation of secondary, tertiary and higher order ions in the ionization chamber of a conventional mass spectrometer operating at high pressure, have used either a steady state treatment (2, 24) or an ion-beam approach (43). These theories are essentially phenomenological, and they make no clear assumptions about the nature of the reactive collision. The model outlined below is a microscopic one, making definite assumptions about the kinematics of the reactive collision. If the rate constants of the reactions are fixed, the nature of these assumptions definitely affects the amount of reaction occurring. 

This chapter focuses on types of models used to describe the functioning of biogeochemical cycles, i.e., reservoir or box models. Certain fundamental concepts are introduced and some examples are given of applications to biogeochemical cycles. Further examples can be found in the chapters devoted to the various cycles. The chapter also contains a brief discussion of the nature and mathematical description of exchange and transport processes that occur in the oceans and in the atmosphere. This chapter assumes familiarity with the definitions and basic concepts listed in Section 1.5 of the introduction such as reservoir, flux, cycle, etc. 

The American Society for Testing and Materials (ASTM)119 has developed a standard protocol for evaluating environmental chemical-fate models, along with the definition of basic modeling terms, shown in Table 20.17. Predicting fate requires natural phenomena to be described mathematically. 

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