Bulk level, properties associated

In the present work, such a systematic approach to the physical characterization of pharmaceutical solids is outlined. Techniques available for the study of physical properties are classified as being associated with the molecular level (properties associated with individual molecules), the particulate level (properties pertaining to individual solid particles), and the bulk level (properties associated with an ensemble of particulates). Acquisition of this range of physical information yields a total profile of the pharmaceutical solid in question, whether it is an active drug, an excipient, or a blend of these. The development of a total profile is a requirement for successful manufacture of any solid dosage form. 

Polymers for second-order NLO applications have been extensively investigated during the last ten years. However, significant progress in material development efforts toward practical applications has been made only in recent years. This chapter discusses the current state of the art in the development of second-order NLO polymers. We start with a brief description of the NLO phenomena at both the molecular and bulk levels. The design considerations and property optimization of chromophores are associated with the molecular level optical nonlinearity. The induced noncentrosymmetric dipolar orientation of chromophores leads to the bulk second-order NLO properties, which are most commonly char-... 

In Chapter 2, a brief discussion of statistical mechanics was presented. Statistical mechanics provides, in theory, a means for determining physical properties that are associated with not one molecule at one geometry, but rather, a macroscopic sample of the bulk liquid, solid, and so on. This is the net result of the properties of many molecules in many conformations, energy states, and the like. In practice, the difficult part of this process is not the statistical mechanics, but obtaining all the information about possible energy levels, conformations, and so on. Molecular dynamics (MD) and Monte Carlo (MC) simulations are two methods for obtaining this information... 

This variation in the properties of polymers along their interfaces with inclusions is extended to layers of a sometimes significant thickness. This follows from the fact that, if only a thin surface-layer of the polymer was affected by its contact with the other phase, then the change in Tg should be insignificant, since the level of the glass transition temperature is associated with the bulk of the polymer, or, at least, with a large portion of it. 

The conclusions from these considerations are that semiconductor photoelectrodes can be used to effect either reductions (p-type semiconductors) or oxidations (n-type semiconductors) in an uphill fashion. The extent to which reaction can be driven uphill, Ey, is no greater than Eg, but may be lower than Eg owing to surface states between Eqb and Eye or to an Inappropriate value of Ere(jox. Both Eg and Epg are properties that depend on the semiconductor bulk and surface properties. Interestingly, Ey can be independent of Ere(jox meaning that the choice of Ere(jox and the associated redox reagents can be made on the basis of factors other than theoretical efficiency, for a given semiconductor. Thus, the important reduction processes represented by the half-reactions (3)-(5) could, in principle, be effected with the same efficiency at a Fermi level pinned (or... 

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