Title: Controlling and Predicting Crystal Shapes: The Case of Urea
Abstract: Angewandte Chemie International EditionVolume 52, Issue 50 p. 13369-13372 Communication Controlling and Predicting Crystal Shapes: The Case of Urea† Dr. Matteo Salvalaglio, Corresponding Author Dr. Matteo Salvalaglio [email protected] Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland) Facoltà di informatica, Istituto di Scienze Computazionali, Università della Svizzera Italiana, 6900 Lugano (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this authorDr. Thomas Vetter, Dr. Thomas Vetter Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)Search for more papers by this authorProf. Dr. Marco Mazzotti, Corresponding Author Prof. Dr. Marco Mazzotti [email protected] Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this authorProf. Dr. Michele Parrinello, Corresponding Author Prof. Dr. Michele Parrinello [email protected] Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland) Facoltà di informatica, Istituto di Scienze Computazionali, Università della Svizzera Italiana, 6900 Lugano (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this author Dr. Matteo Salvalaglio, Corresponding Author Dr. Matteo Salvalaglio [email protected] Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland) Facoltà di informatica, Istituto di Scienze Computazionali, Università della Svizzera Italiana, 6900 Lugano (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this authorDr. Thomas Vetter, Dr. Thomas Vetter Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)Search for more papers by this authorProf. Dr. Marco Mazzotti, Corresponding Author Prof. Dr. Marco Mazzotti [email protected] Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this authorProf. Dr. Michele Parrinello, Corresponding Author Prof. Dr. Michele Parrinello [email protected] Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland) Facoltà di informatica, Istituto di Scienze Computazionali, Università della Svizzera Italiana, 6900 Lugano (Switzerland) Matteo Salvalaglio, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Marco Mazzotti, Institute of Process Engineering, ETH Zurich, 8092 Zurich (Switzerland)=== Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 8092 Zurich (Switzerland)===Search for more papers by this author First published: 24 October 2013 https://doi.org/10.1002/anie.201304562Citations: 77 † The authors thank Elena dos Santos (experiments 2, 4, and 6) and Wu Jinghua (experiments 1, 3, and 5) for performing part of the experimental work, and Lisa Joss and Max Hefti for helpful discussions on additive adsorption. The authors also acknowledge the computational resources provided by the Swiss Center for Scientific Computing (CSCS) and the Brutus Cluster at ETH Zurich, and the support of the EMEZ Electron Microscopy group at ETH Zurich. M.S. thanks Federico Giberti and Ali Hassanali for useful discussions and an early reading of the manuscript. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract Understanding crystal growth from solution is crucial to control the evolution of crystal morphologies. Experiments, molecular simulations, and theory were combined to examine the morphology of urea crystals grown in different solutions. To get a rational representation of all the possible habits a shape diagram (see picture) is introduced in which the habit dependence on the relative growth rates is illustrated. Citing Literature Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Filename Description anie_201304562_sm_miscellaneous_information.pdf19.3 MB miscellaneous_information Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. Volume52, Issue50December 9, 2013Pages 13369-13372 RelatedInformation
Publication Year: 2013
Publication Date: 2013-10-24
Language: en
Type: article
Indexed In: ['crossref', 'pubmed']
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Cited By Count: 97
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