Fundamental Chemical Science

Thus, organic synthesis represents a huge and vigorously expanding area of scientific activity, the progress of which is fed by the successes of all fundamental chemical sciences, and the results of which enrich both organic chemistry and, in more general terms, the natural sciences. 

If the present volume will help towards the comprehension of the fundamental principles on which the science of thermodynamics rests, and also serve to bring home the importance of a knowledge of these principles in the suggestion and interpretation of experimental work, the purpose which has been kept in view during its preparation will have been amply fulfilled. In any case, it is hoped that neither the extreme view that thermodynamic principles alone suffice in the construction of a systematic physical or chemical science, nor the equally mistaken opinion that they are of little practical utility to the experimental worker, can fairly result from its study. 

Thermod5mamics is a fundamental engineering science that has many applications to chemical reactor design. Here we give a summary of two important topics determination of heat capacities and heats of reaction for inclusion in energy balances, and determination of free energies of reaction to calculate equihbrium compositions and to aid in the determination of reverse reaction... 

Dividing the enterprise of the chemical sciences strictly into fundamentals and areas of societal benefit cannot, of course, be done with any degree of purity, so every chapter has significant elements of both. This is particularly true in the sections on theory and computation (Chapter 6) and on the interface with biology and medicine (Chapter 7). We close in Chapter 12 with our vision of grand challenges for the chemical sciences. 

A new kind of relationship is emerging between universities and industry in the chemical sciences, influenced in part by the Bayh-Dole Act of 1980, which allowed universities to retain intellectual property rights from federally funded research.2 As large industrial organizations have fewer and smaller departments doing long-range or basic research, they look to universities both for fundamental research and for students. In contrast to previous decades, in which many compa-... 

Quantum calculations are the starting point for another objective of theoretical and computational chemical science, multiscale calculations. The overall objective is to understand and predict large-scale phenomena, such as deformation in solids or transport in porous media, beginning with fundamental calculation of electronic structure and interactions, then using the results of that calculation as input to the next level of a more coarse-grained approximation. 

To prevent or at least minimize such problems, we must better understand the environment at all levels, including the fundamental chemical processes that affect it. We have learned the lesson that when assessing the fate of new products in the environment, we should not underestimate the potential of these to appear in unexpected places. The recognition, avoidance, or solution of complex environmental problems requires the expertise of a variety of science and engineering disciplines. Only then will it be possible to produce realistic evaluations of how new compounds will be distributed and will act in the ecosystem. In addition to chemistry and biochemistry, fields such as solution thermodynamics and transport phenomena in which many chemical engineers work, as well as earth sciences and environmental engineering, have crucial contributions to make. 

Finally, chemists and chemical engineers must accept the important challenges that they alone can meet. Some of the challenges are described in this report, but the chemical sciences community must continuously expand the list— and always stand ready to accept new ideas and meet new goals. Some of the most exciting advances in science have come from basic scientific exploration, so we must continue to encourage those who simply want to expand the frontiers of fundamental understanding. 

The National Science Foundation (NSF) provides support to all the basic sciences and engineering in universities. NSF support of chemistry is very important, both the support directed to fundamental research initiated by individual investigators and the research done in research centers such as those aimed at developing new materials or at understanding and improving the environment. The support is critical, but more is needed for the chemistry division of NSF to achieve its objectives.10 Considering the importance of basic and applied chemistry and chemical engineering to the economic future of the United States, it seems that an increase in the ability of NSF to support fundamental and applied chemical science is warranted. 

The overview report will identify recent advances and current challenges in fundamental understanding of the basic science, and it will explore the impact beyond the chemical sciences that these advances have had in the past. It will also explore the possibilities for such impact in the future, recognizing that such developments are frequently serendipitous. Issues to be addressed include ... 

Extrapolating from its history and considering its unique capabilities, furthermore, seeing the increasing potential of combined utilizations with other physical techniques and theoretical calculations, and finally, recognizing the needs of fundamental chemical research and materials science in a broader sense, I envision a firm and growingly important place for gas electron diffraction in the future. 

What is the future of solvent extraction We will try to indicate some areas in which we expect important advances in the future. Some are more theoretical, others are applied, but all are related to other areas of chemistry or to other fields of science and technology. The simple answers given here do not require the reading of the subsequent chapters, but do require some good fundamental chemical knowledge. 

Chemical science is the most fundamental driver of advances within the chemical industry. Maintaining and improving the competitiveness of the U.S. chemical industry requires advances in three areas of chemical science chemical synthesis, bioprocesses and biotechnology, and materials technology. 

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