Mechanistic Understanding of Methane Hydroxylation by Cu-Exchanged Zeolites

Methane direct conversion to methanol or methane hydroxylation by Cu-exchanged zeolite catalysts through a stepwise approach is a promising process for fulfilling the increasing energy demand in the midst of declining fossil energy and unreadiness of rene

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Direct Hydroxylation of Methane Interplay Between Theory and Experiment

Direct Hydroxylation of Methane

Kazunari Yoshizawa Editor

Direct Hydroxylation of Methane Interplay Between Theory and Experiment

123

Editor Kazunari Yoshizawa Institute for Materials Chemistry and Engineering Kyushu University Fukuoka, Japan

ISBN 978-981-15-6985-2 ISBN 978-981-15-6986-9 https://doi.org/10.1007/978-981-15-6986-9

(eBook)

© Springer Nature Singapore Pte Ltd. 2020 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. This Springer imprint is published by the registered company Springer Nature Singapore Pte Ltd. The registered company address is: 152 Beach Road, #21-01/04 Gateway East, Singapore 189721, Singapore

Contents

Orbital Concept for Methane Activation . . . . . . . . . . . . . . . . . . . . . . . . Kazunari Yoshizawa and Mayuko Miyanishi Theoretical Study of the Direct Conversion of Methane by First-Row Transition-Metal Oxide Cations in the Gas Phase . . . . . . . . . . . . . . . . . Yoshihito Shiota and Kazunari Yoshizawa Enzymatic Methane Hydroxylation: sMMO and pMMO . . . . . . . . . . . . Takashi Yumura, Takehiro Ohta, and Kazunari Yoshizawa Mechanistic Understanding of Methane Hydroxylation by Cu-Exchanged Zeolites . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Muhammad Haris Mahyuddin, Hermawan Kresno Dipojono, and Kazunari Yoshizawa Oxidative Activation of Metal-Exchanged Zeolite Catalysts for Methane Hydroxylation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Muhammad Haris Mahyuddin

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Dynamics and Energetics of Methane on the Surfaces of Transition Metal Oxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 Yuta Tsuji, Masashi Saito, and Kazunari Yoshizawa Machine Learning Predictions of Adsorption Energies of CH4-Related Species . . . . . . . . .