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Simulation of chiral ordering process by Monte Carlo methods
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Simulation of chiral ordering process by Monte Carlo methods Paperback - 2010

by Serge Ayissi

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Chiral heterogeneous catalysts are mostly fabricated from chiral molecules on a metal support. They play a crucial role in intermediate reactions in the fabrication of pharmacies, itself and important part of today's health economy. However, the key parameters in the fabrication of these catalysts, a requirements for their rational design, are still poorly understood despite years of experimental research. In essence, such an understanding can only come from high-level simulations. Here, we present the first predictions about the structure of such a catalyst, tartaric acid on a copper support, over the whole phase space of temperature and coverage. Interestingly, we find that molecular vibrations play a key role in the ensuing ordered structures, and that tuning the fabrication temperature should allow for a wide range of molecular separations, which can be targeted at specific molecules and reactions in chiral heterogeneous catalysis.

Details

  • Title Simulation of chiral ordering process by Monte Carlo methods
  • Author Serge Ayissi
  • Binding Paperback
  • Pages 196
  • Volumes 1
  • Language ENG
  • Publisher VDM Verlag
  • Publication date 2010-02
  • ISBN 9783639236293 / 3639236297
  • Weight 0.65 lbs (0.29 kg)
  • Dimensions 9 x 6 x 0.45 in (22.86 x 15.24 x 1.14 cm)
  • Category Science

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Simulation of chiral ordering process by             Monte Carlo methods
Stock photo: cover may vary

Simulation of chiral ordering process by Monte Carlo methods

by Serge Ayissi

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New
ISBN 10 / ISBN 13
9783639236293 / 3639236297
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VDM Verlag Dr. Mueller Aktiengesellschaft & Co. KG , pp. 196 . Papeback. New.
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Simulation of chiral ordering process by Monte Carlo methods: A first-principles statistical...
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Simulation of chiral ordering process by Monte Carlo methods: A first-principles statistical mechanics study

by Ayissi, Serge

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  • Paperback
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Paperback
ISBN 10 / ISBN 13
9783639236293 / 3639236297
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paperback. Good. Access codes and supplements are not guaranteed with used items. May be an ex-library book.
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A$200.86
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