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This book covers theoretical aspects of adsorption, followed by an
introduction to molecular simulations and other numerical
techniques that have become extremely useful as an engineering tool
in recent times to understand the interplay of different
mechanistic steps of adsorption. Further, the book provides brief
experimental methodologies to use, test, and evaluate different
types of adsorbents for water pollutants. Through different
chapters contributed by accomplished researchers working in the
broad area of adsorption, this book provides the necessary
fundamental background required for an academician, industrial
scientist or engineer to initiate studies in this area. Key
Features Explores fundamentals of adsorption-based separation
Provides physical insight into aqueous phase adsorption Includes
theory, molecular and mesoscopic level simulation techniques and
experiments Describes molecular simulations and lattice-Boltzmann
method based models for aqueous phase adsorption Presents
state-of-art experimental works particularly addressing removal of
"emerging pollutants" from aqueous phase
This book covers theoretical aspects of adsorption, followed by an
introduction to molecular simulations and other numerical
techniques that have become extremely useful as an engineering tool
in recent times to understand the interplay of different
mechanistic steps of adsorption. Further, the book provides brief
experimental methodologies to use, test, and evaluate different
types of adsorbents for water pollutants. Through different
chapters contributed by accomplished researchers working in the
broad area of adsorption, this book provides the necessary
fundamental background required for an academician, industrial
scientist or engineer to initiate studies in this area. Key
Features Explores fundamentals of adsorption-based separation
Provides physical insight into aqueous phase adsorption Includes
theory, molecular and mesoscopic level simulation techniques and
experiments Describes molecular simulations and lattice-Boltzmann
method based models for aqueous phase adsorption Presents
state-of-art experimental works particularly addressing removal of
"emerging pollutants" from aqueous phase
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Computational Nanoscience (Hardcover)
William Challacombe, Jim Chelikowsky, Jeffrey Grossman, Arkady V. Krasheninnikov, Fedor Y. Naumkin, …
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R4,949
Discovery Miles 49 490
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Ships in 10 - 15 working days
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Nanoscience is one of the most exciting areas of modern physical
science as it encompasses a range of techniques rather than a
single discipline. It stretches across the whole spectrum of
science including: medicine and health, physics, engineering and
chemistry. Providing a deep understanding of the behaviour of
matter at the scale of individual atoms and molecules, it provides
a crucial step towards future applications of nanotechnology. The
remarkable improvements in both theoretical methods and
computational techniques make it possible for modern computational
nanoscience to achieve a new level of chemical accuracy. It is now
a discipline capable of leading and guiding experimental efforts
rather than just following others. Computational Nanoscience
addresses modern challenges in computational science, within the
context of the rapidly evolving field of nanotechnology. It
satisfies the need for a comprehensive, yet concise and up-to-date,
survey of new developments and applications presented by the
world's leading academics. It documents major, recent advances in
scientific computation, mathematical models and theory development
that specifically target the applications in nanotechnology.
Suitable for theoreticians, researchers and students, the book
shows readers what computational nanoscience can achieve, and how
it may be applied in their own work. The twelve chapters cover
topics including the concepts behind recent breakthroughs, the
development of cutting edge simulation tools, and the variety of
new applications.
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