New Perspectives on Mineral Nucleation and Growth from Solution Precursors to Solid Materials New Perspectives on Mineral Nucleation and Growth Alexander E.S
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Alexander E.S. Van Driessche Matthias Kellermeier Liane G. Benning Denis Gebauer Editors New Perspectives on Mineral Nucleation and Growth From Solution Precursors to Solid Materials New Perspectives on Mineral Nucleation and Growth Alexander E.S. Van Driessche Matthias Kellermeier • Liane G. Benning Denis Gebauer Editors New Perspectives on Mineral Nucleation and Growth From Solution Precursors to Solid Materials 123 Editors Alexander E.S. Van Driessche Matthias Kellermeier University Grenoble Alpes Material Physics CNRS, ISTerre BASF SE Grenoble, France Ludwigshafen Germany Liane G. Benning German Research Center Denis Gebauer for Geosciences, GFZ Department of Chemistry Interface Geochemistry Section Physical Chemistry Potsdam, Germany University of Konstanz Konstanz, Germany ISBN 978-3-319-45667-6 ISBN 978-3-319-45669-0 (eBook) DOI 10.1007/978-3-319-45669-0 Library of Congress Control Number: 2016956851 © Springer International Publishing Switzerland 2017 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, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. Printed on acid-free paper This Springer imprint is published by Springer Nature The registered company is Springer International Publishing AG The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland Contents 1 Nucleation Pathways in Electrolyte Solutions ........................... 1 James J. De Yoreo, Nico A.J.M. Sommerdijk, and Patricia M. Dove 2 Novel Paradigms in Nonclassical Nucleation Theory ................... 25 James F. Lutsko 3 Challenges and Perspectives of the Polymer-Induced Liquid-Precursor Process: The Pathway from Liquid-Condensed Mineral Precursors to Mesocrystalline Products ............................................... 43 Stephan E. Wolf and Laurie B. Gower 4 Structural Characteristics and the Occurrence of Polyamorphism in Amorphous Calcium Carbonate................. 77 Alejandro Fernandez-Martinez, Hugo Lopez-Martinez, and Dongbo Wang 5 ACC and Vaterite as Intermediates in the Solution-Based Crystallization of CaCO3 .................................................. 93 Juan Diego Rodriguez-Blanco, Karina K. Sand, and Liane G. Benning 6 Ab Initio Modelling of the Structure and Properties of Crystalline Calcium Carbonate ........................................... 113 Raffaella Demichelis, Paolo Raiteri, and Julian D. Gale 7 Classical and Nonclassical Theories of Crystal Growth ................ 137 Jens-Petter Andreassen and Alison Emslie Lewis 8 Mineralization Schemes in the Living World: Mesocrystals........... 155 Ashit Rao and Helmut Cölfen 9 Nucleation and Growth from a Biomineralization Perspective........ 185 Giuseppe Falini and Simona Fermani v vi Contents 10 Phase Transformations in Calcium Phosphate Crystallization........ 199 Henrik Birkedal 11 Control Over Nanocrystalline Apatite Formation: What Can the X-Ray Total Scattering Approach Tell Us ..................... 211 José Manuel Delgado-López and Antonella Guagliardi 12 Calcium Sulfate Precipitation Throughout Its Phase Diagram ....... 227 Alexander E.S. Van Driessche, Tomasz M. Stawski, Liane G. Benning, and Matthias Kellermeier 13 A Perspective on the Particle-Based Crystal Growth of Ferric Oxides, Oxyhydroxides, and Hydrous Oxides ................ 257 R. Lee Penn, Dongsheng Li, and Jennifer A. Soltis 14 Magnetite Nucleation and Growth........................................ 275 Victoria Reichel and Damien Faivre 15 Silica and Alumina Nanophases: Natural Processes and Industrial Applications ............................................... 293 Dominique J. Tobler, Tomasz M. Stawski, and Liane G. Benning 16 Crystal Nucleation of Small Organic Molecules ........................ 317 Huaiyu Yang and Joop H. ter Horst 17 Homogeneous Nucleation of Smoke Particles and Its Relationship with Cosmic Dust Particles ................................ 339 Yuki Kimura and Katsuo Tsukamoto 18 Liquid Phase TEM Investigations of Crystal Nucleation, Growth, and Transformation.............................................. 353 Michael H. Nielsen and James J. De Yoreo Summary and Outlook .......................................................... 375 Introduction Crystals surround us in our daily life. They form integral parts of our body (e.g. bones), they make up all the ground we stand on (our, as well as any other rocky planet consists of crystals), and they play important roles in a large array of industrial processes and technologies (from table salt over concrete to biomedical nanoparticles). Accordingly, the formation mechanisms and properties of crystals have been the subject of extensive studies since the early days of science, not least due to the aesthetic beauty and fascinating structural perfection of single crystals like those shown on the cover page of this book. While there are long- standing theories on both the birth of crystals (nucleation) and their later evolution (growth, recrystallization and/or transformation), many central questions remain unanswered, and meanwhile, there is a vast amount of evidence suggesting that the traditional view on crystallization is way too simplified. This notion has been corroborated by numerous excellent studies over the past two decades, witnessing a true renaissance in the field and providing completely new perspectives on the underlying physical processes. Today, the scientific interest in the nucleation and growth of mineral phases appears to be greater than ever, due to the relevance of crystallization phenomena across various disciplines such as chemistry, physics, biology, geology, medicine or material science. In this context, the aim of the present book is to illustrate, based on a number of exemplary spotlights, the current state of the art in crystallization research. By bringing together contributions from leading experts in their particular areas, we aim to guide the reader through the complex world of crystallizing systems, highlighting only recently discovered aspects that moved into the focus of ongoing investigations. The individual chapters outline the results of studies related to: 1. Different types of materials (from classical minerals like calcium carbonate over iron oxides all the way to organic crystals and smoke particles) 2. Different stages of the crystallization process (homogeneous solution, nucle- ation, phase transformation, aggregation, growth) 3. Different possible phases (clusters, liquid and/or amorphous precursors, crys- talline intermediates) vii viii Introduction 4. A range of advanced methods (both experimental and theoretical) to study the occurring processes at unprecedented levels of detail 5. The relevance of crystallization for different fields of research including biomin- eralization, geochemistry and industrial applications Chapter 1, authored by De Yoreo and colleagues, sets the stage for this discussion by introducing a variety of experimentally observed pathways for mineral nucleation from solution. The authors compare the concepts of classical nucleation theory (CNT) with alternative mechanisms such as spinodal decomposition or the aggregation of preformed ion clusters and indicate the conditions under which one or the other pathway becomes operative on a thermodynamic level. They further show that the formation of stable crystals often involves multiple steps, which can be influenced dramatically by polymeric additives or the presence of surfaces. Despite these, and many other, observations evidencing that the classical model of nucleation may not adequately describe the real situation, the theoretical community still mainly uses CNT as dominant conceptual framework. In Chap. 2, Lutsko addresses this issue and presents a novel theoretical description, which is based on the understanding that nucleation is a non-equilibrium process for which equilibrium approximations (as employed by CNT) are of limited applicability. This alternative theory reproduces the results of CNT in appropriate limits, but at the same time, it also allows integrating the new paradigms resulting from experimental studies and simulation work. The following four contributions deal with the crystallization of calcium carbon- ate – arguably the most extensively studied mineral in the recent past – with each of the chapters focusing on different stages of the precipitation process. Wolf and Gower (Chap. 3) start out by introducing liquid-like mineral phases and discuss the so-called polymer-induced liquid-precursor (PILP) process from a nonclassical point of view, where solution crystallization is replaced by pseudomorphic solidifi-