General Philosophy

It is now generally accepted that, given a sufficiently accurate classical force field, molecular dynamics (MD) simulations are capable of predicting thermophysical, structural, dynamical and mechanical properties in quantitative agreement with experiment for a wide variety of materials, including liquids and their mixtures [9-12], polymer melts [13-18], polymer solutions [19-21], polymer electrolytes [22-24] and liquid electrolyte solutions [25]. 

In general the fire and explosion protection engineering design philosophy for oil, gas and related facilities can be defined by the following objectives (listed in order of decreasing importance)  

No facility should be designed such that an employee or the public could be immediately harmed if they were to be exposed to the operation. 

Inherently design safety features at facilities provides for adequate spacing, arrangement and segregation of equipment from high hazard to low hazard. The least hazardous process systems should be used for obtaining the desired product or production objectives. Protective systems are provided to minimized the effects that may occur from a catastrophic incident. 

All international, national and local laws or regulations are to be complied with, in both prescriptive requirements and underlying objectives. Laws are provided to achieve the minimum safeguards that are required by a society to exist without excessive turmoil. Industry must abide by these laws in order to have a cohesive operation without fear of legal mandates. 

Although a facility could conceivably be designed that would comply with all laws and regulations, if the perception exists that the facility is unsafe, it must be altered to provide for a facility is technically judged safe by both recognized experts, the industry and the general public. 

Housekeeping has an important role in preventing laboratory accidents. Laboratories must be kept in a neat, orderly condition. Maintenance of a clean and orderly workspace is indicative of job interest, personal pride, and safety mindedness and the training in orderliness is translated into a methodical approach to other lines of endeavor. Good housekeeping in the laboratory is the responsibility of all people working in that laboratory. 

---

The Stanford Research Institute is one of the proponents of long-range planning and has performed comprehensive studies for a number of clients. The planners make proposals to the board of directors, which sets the general philosophy and... 

The same general philosophy espoused in Chapter 5 regarding expansion applies here. Some specific cases follow. 

CIBA GEIGY Corporation is presently using models as an aid to data interpretation for risk assessment. Our general philosophy is to use the model as an aid to risk assessment and not as a predictive tool to eliminate definitive studies. Hopefully, environmental fate models will be useful as a predictive tool as they become validated. 

This illustrates the general philosophy of taxometrics. For something to be deemed a taxon, it needs to clear several hurdles, which arguably makes taxometrics the most rigorous analytic approach to the study of taxonomy. The last two conditions (e and f) are external consistency tests and apply to all taxometric studies. On the other hand, a, b, c, and d are internal consistency tests. Some of them are specific to MAXCOV—other procedures have their own unique internal consistency tests—but a and b can be performed with any of the CCK methods. We will now consider the first three internal consistency tests (a, b, and c) in detail and postpone discussion of the distribution of taxon membership. 

Quantum chemists have developed considerable experience over the years in inventing new molecules by quantum chemical methods, which in some cases have been subsequently characterized by experimentalists (see, for example, Refs. 3 and 4). The general philosophy is to explore the Periodic Table and to attempt to understand the analogies between the behavior of different elements. It is known that for first row atoms chemical bonding usually follows the octet rule. In transition metals, this rule is replaced by the 18-electron rule. Upon going to lanthanides and actinides, the valence f shells are expected to play a role. In lanthanide chemistry, the 4f shell is contracted and usually does not directly participate in the chemical bonding. In actinide chemistry, on the other hand, the 5f shell is more diffuse and participates actively in the bonding. 

The general philosophy is in fact identical to that used for the radial variables. The reader is referred to Ref. 87 for further details of the manner in which the operation of the Hamiltonian operator on the wavepacket is accomplished. 

The general philosophy of our test for oscillatory instability can be summarized as follows. At the pseudo-steady state, the net rates of change of the intermediate concentrations are zero da/dt = db/dt = 0. If we make a small... 

The general philosophy has already been rehearsed in 2.6 of the previous chapter. There are, however, some additional intricacies which must be considered in a full analysis, and other ways in which a stationary state can become unstable. These. aspects are considered now. Those readers less interested in this mathematical background can move straight to 3.3 where the method is applied—consulting Table 3.2 and Fig. 3.3 as appropriate. 

JACS 82.5545(1960) 4)C.D.Hurd,"The General Philosophy of Organic Nomenclature ,JChemEduc 38,43(1961)... 

We now consider separately each function used to calculate the terms that go to make up the total strain energy. We have restricted our discussion here to the simplest forms of the functions. With the greater approximations involved in modeling metal complexes, refinements of the functions are often an unneccessary elaboration. A full account of possible functions is given in Chapter 2, Section 2.2. When the use of other functions is indicated, these can be parameterized by application of the general philosophies of force field development outlined below. 

The best choice of pump type can be selected from Ref. P1 (p.155, Figure 5.6), this is a single-stage, single-suction, centrifugaipump. This is consistent with the general philosophy that a radial flow machine is best suited to higher heads and lower flows (Ref. P3 p.580). 

From this general philosophy of process intensification follow concrete opportunities that PI offers to chemical enterprises, as shown in Figure 4. These opportunities exist primarily in four areas costs, safety, time to market, and company image. 

Starting from the general philosophy that an FTICR mass spectrometer is a research grade analytical instrument, we have chosen to develop a software system which offers versatility and direct control over almost all experimental parameters. 

---