CED,

Hilbers P A J and Esselink K 1993 Parallel computing and molecular dynamics simulations Computer Simulation In Chemloal Physios /o 397 NATO ASI Series Ced M P Allen and D J Tlldesley (Dordrecht Kluwer) pp 473-95... 

The quantity AU JV° is the internal energy of vaporization per unit volume and is called the cohesive energy density (CED) of component i. The square root of the CED is generally given the symbol 6j for component i. 

The special appeal of this approach is that it allows the heat of mixing to be estimated in terms of a single parameter assigned to each component. This considerably simplifies the characterization of mixing, since m components (with m 6 values) can be combined into m(m - l)/2 binary mixtures, so a considerable data reduction follows from tabulating 6 s instead of AH s. Table 8.2 is a list of CED and 6 values for several common solvents, as well as estimated 6 values for several common polymers. 

Table 8.2 Values of the Cohesive Energy Density (CED) for Some Common Solvents and the Solubility Parameter 6 for These Solvents and Some Common Polymers...

Athermal mixing is expected in the case of 61 - 62. Since polymers generally decompose before evaporating, the definition 6 = (AUy/V°) is not useful for polymers. There are noncalorimetric methods for identifying athermal solutions, however, so the 6 value of a polymer is equated to that of the solvent for such a system to estimate the CED for the polymer. The fact that a range of 6 values is shown for the polymers in Table 8.2 indicates the margin of uncertainty associated with this approach. 

Ad ceds are bipolar operating at normal, atmospheric pressure unless otherwise noted. Monopolar ceds are used. 

Ced rwood. Many varieties of cedarwood oil are obtained from different parts of the world. They are produced mainly by steam distillation of chipped heartwood, but some are also produced by solvent extraction. The oils, which vary significantly ia chemical composition, are used ia perfumes as such, but the main uses are as distillation fractions and chemical derivatives. For the latter purposes the most used oils, which are similar ia composition, are from Texas ia the United States (Juniperus mexicand) and from China Cupressusfunebris). The principal constituents of these oils are cedrene [11028-42-5] (4), thujopsene [470-40-6] (5), and cedrol [77-53-2] (6). The first two of these are obtained together by distillation and used mostiy ia the form of acetylated derivatives. Cedrol is used as such and, to a greater extent, as its acetate ester. 

Fig. 6. Interior stmcture of the ceU wad of Scotch pine, where S = secondary wall, P = primary wad, and ML = middle lamella. Chemical composition of ced wad lignin, 28.0 wt % cedulose, 40.3 wt % and hemicedulose, 28.7 wt %. Extractives, not shown, ate 3.0 wt %.

The Hildebrand solubiUty parameter, 5, is the square root of the CED. It is a measure of all interactions that occur between molecules of the solvent. 

At equihbrium with relative humidity below 100%, the moisture ia wood is present primarily ia the cell wads. The moisture content at which the ceU wads would be saturated and the ced cavities empty is caded the fiber saturation poiat. Actuady, such distribution is impossible. Beginning at - 90% relative humidity, some condensation may occur ia smad capidaries. The determination of the fiber saturation poiat is based on the fact that certain properties of wood (eg, strength and volume) change uniformly at first with increasing moisture content and then become iadependent of the moisture content (Fig. 2). The equdibrium moisture content (usuady determined by extrapolation), at which the property becomes constant at 25 to 30% moisture, is represented by the fiber saturation poiat. 

In 1945 it was noted that a strain of Cephalosporium acremonium i oAu ced antibiotic material that was active against gram-negative as weU as gram-positive... 

Resistance. Resistance to the cephalosporins may result from the alteration of target pencillin-binding sites (PBPs), decreased permeabdity of the bacterial ced wad and outer membrane, or by inactivation via enzyme mediated hydrolysis of the lactam ring (80,81,138—140). This resistance can be either natural or acquired. Although resistance is often attributed speciftcady to one of these factors, in reaUty it reflects the interplay of several factors. In most instances, however, resistance results from the production of a P-lactamase enzyme, which opens the P-lactam ring as depicted in Figure 2. 

Because of the highly permeable nature of the ced wad of gram-positive organisms, they produce P-lactamases which are not only found throughout the ced wad, but also in the extracedular environment. Hence the extracedular P-lactamases can act on the antibiotic before the ced is entered. 

Gram-negative organisms produce ced-bound P-lactamases which reside in the periplasmic space. Thus, for gram-negative bacteria, the antibiotic must penetrate the outer ced membrane/wad before coming in contact with a P-lactamase (80,139,140). 

Many small molecules can penetrate the outer ced membrane by diffusion through channels created by outer-membrane proteins caded porins. 

Porin channels are impHcated in the transport of cephalosporins because ceds deficient in porins are much more impermeable than are ceds that are rich in porins. The porins appear to function as a molecular sieve, adowing molecules of relatively low molecular weight to gain access to the periplasmic space by passive diffusion. In enterobacteria, a clear correlation exists between porin quantity and cephalosporin resistance, suggesting that the outer membrane is the sole barrier to permeabdity. However, such a relationship is not clearly defined for Pseudomonas aeruginosa where additional barriers may be involved (139,144,146). 

The NPRDS is an industry-wide system for monitoring the performance of selected systems and components at U.S. commercial nuclear power plants. Information in NPRDS is derived from a standardized format input report prepared by U.S. nuclear plant licensees. The plants are as)ced to submit failure reports on catastrophic events and degraded failures within the defined reportable scope reporting of incipient events is optional. Command faults are not reportable unless they malce an entire system unavailable. In addition, the plants are as)ced to file component engineering reports on all components within the selected systems and reportable scope. These reports contain detailed design data, operating characteristics, and performance data on the selected systems and components (over 3000 components, from approximately 30 systems, per unit). The selected systems are primarily safety systems. 

The internal pressure is a differential quantity that measures some of the forces of interaction between solvent molecules. A related quantity, the cohesive energy density (ced), defined by Eq. (8-35), is an integral quantity that measures the total molecular cohesion per unit volume. - p... 

In Eq. (8-35), Afvap is the molar energy of vaporization, and AH p is the molar heat of vaporization. In effect, -it is a measure of the energy required to break some of the solvent-solvent forces, whereas ced is a measure of the energy required to... 

Table 8-6. Internal Pressure and Cohesive Energy Density (ced) of Solvents...

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