Catalytic Thermodynamics of Nanocluster Adsorbates from Informational Statistical Mechanics
نویسندگان
چکیده
منابع مشابه
Catalytic Thermodynamics of Nanocluster Adsorbates from Informational Statistical Mechanics
This Letter presents a new approach for studying the catalytic thermodynamics of cuboctahedral nanoclusters, using informational statistical mechanics. The Morse potential determines bond energies between cluster atoms in a coordination type calculation. Applied density functional theory (DFT) calculations demonstrate adatom effects on the thermodynamic quantities, which are derived from a Hami...
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The field of thermodynamics is easiest to understand in the context of Newtonian mechanics. Newtonian mechanics describes the effect of forces on objects. Thermodynamics describes the effect of heat transfer on objects. When heat is transferred,the temperature of an object changes.Temperature and heat are also intimately related to energy. A hot gas in a piston has a high pressure and it can do...
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We consider the question of the existence of a generalized H-theorem in the context of the variational method in the information-theoretical approach that generates the nonequilibrium statistical operator formalism. After brie y reviewing how the latter provides mechano-statistical foundations for phenomenological irreversible thermodynamics, the socalled Informational Statistical Thermodynamic...
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No part of this publication may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, recording, scanning, or otherwise, except as permitted under Section 107 or 108 of the 1976 United States Copyright Act, without either the prior written permission of the Publisher, or authorization through payment of the appropriate per...
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The proper definition of thermodynamics and the thermodynamic entropy is discussed in the light of recent developments. The postulates for thermodynamics are examined critically, and some modifications are suggested to allow for the inclusion of long-range forces (within a system), inhomogeneous systems with non-extensive entropy, and systems that can have negative temperatures. Only the thermo...
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ژورنال
عنوان ژورنال: Catalysis Letters
سال: 2018
ISSN: 1011-372X,1572-879X
DOI: 10.1007/s10562-018-2338-z