Integrated Chemical Design System

NECESSARY RESOURCES FOR AN INTEGRATED CHEMICAL DESIGN SYSTEM Hardware... 

In looking towards the 21st Century, I predict that interfacial photochemical and electrochemical processes at designed and integrated chemical systems will play an important role in the development of energy conversion and other devices. 

ETEM is thus used as a nanolaboratory with multi-probe measurements. Design of novel reactions and nanosynthesis are possible. The structure and chemistry of dynamic catalysts are revealed by atomic imaging, ED, and chemical analysis (via PEELS/GIF), while the sample is immersed in controlled gas atmospheres at the operating temperature. The analysis of oxidation state in intermediate phases of the reaction and, in principle, EXELFS studies are possible. In many applications, the size and subsurface location of particles require the use of the dynamic STEM system (integrated with ETEM), with complementary methods for chemical and crystallographic analyses. 

The development and application of a rigorous model for a chemically reactive system typically involves four steps (1) development of a thermodynamic model to describe the physical and chemical equilibrium (2) adoption and use of a modeling framework to describe the mass transfer and chemical reactions (3) parameterization of the mass-transfer and kinetic models based upon laboratory, pilot-plant, or commercial-plant data and (4) use of the integrated model to optimize the process and perform equipment design. 

For example, the induction of metabolizing enzymes by a chemical can greatly modify its PK and that of other substances, which is the subject of metabolic interactions [59], Intestinal barrier alterations due to intestinal toxicity can also affect PK [3]. Toxicity-induced retro-action mechanisms can also increase volumes of distribution The interaction of a chemical with aromatase can lead to a decrease in estradiol production and hence a decrease in FSH secretion, followed by a decrease in follicular growth and a reduction of the ovary volume [56], This should have implications for the design of in vitro assay systems. Integrated systems, such as those coupling metabolism and effect observations in human on chip micro-devices [5], offer a way to model experimentally the PK/PD continuum. 

---