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Books > Professional & Technical > Mechanical engineering & materials > Materials science
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Computer Modelling of Microporous Materials (Hardcover, New)
Loot Price: R4,132
Discovery Miles 41 320
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Computer Modelling of Microporous Materials (Hardcover, New)
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Microporous materials, including both zeolites and
aluminophosphates are amongst the most fascinating classes of
materials, with wide ranging important applications in catalysis,
gas separation and ion exchange. The breadth of the field has,
moreover, been extended in the last ten years by the discovery of
the versatile and exciting ranges of mesoporous materials.
Computational methods have a long and successful history of
application in solid state and materials science, where they are
indeed established tools in modelling structural and dynamic
properties of the bulk and surfaces of solids; and where they are
playing an increasingly important role in understanding reactivity.
Their application to zeolite science developed strongly in the
1980's, with the initial successes in modelling structure and
sorption, and with emerging capability in quantum mechanical
methods. The field was reviewed over ten years, since then there
have been major developments in techniques and of course the power
of the available hardware, which have promoted a whole range of new
applications to real complex problems in the science of microporous
materials. This book aims to summarise and illustrate the current
capabilities of atomistic computer modelling methods in this
growing field.
- Details advances in the rapidly expanding field of microporous
materials.
- Summarises key current techniques in this type of
modelling.
- Illustrates the current capabilities of atomistic computer
modelling methods.
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