Computational modeling in Clay Mineralogy
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AIPEA Educational Series
Publication No.3 (2021)
Editor: C. Ignacio Sainz-Diaz
Lectures held mainly at the 3rd AIPEA School for Young Scientists
Instituto Andaluz de Ciencias de la Tierra, Granada, Spain, July, 2017
Digilabs Pub., Bari, Italy – pp. 270
ISBN: 978-88-7522-048-8 – ISSN: 2283-687X
doi: 10.14644/AES.003
Contents
- Introduction. Computational mineralogy in clay minerals
- Atomistic modeling of clays and related nanoporous materials with ClayFF force field
- Simulations of clay minerals with IFF All atom models: advantages, validation, and applications
- Fundamentals of Ab Initio calculations
- Modeling electron transfer in iron-bearing phyllosilicate minerals
- Ab initio simulations of clay minerals reactivity and thermodynamics
- Modeling of interactions in natural and synthetic organoclays
- Natural phyllosilicates as excipients of drugs: computational approaches
Magnesian Clays
Characterization, Origin & Applications
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AIPEA Educational Series
Publication No.2
Editors: Manuel Pozo & Emilio Galán
Lectures held at the 2nd AIPEA School for Young Scientists
Rio de Janeiro, Brazil, July 6-7, 2013
Digilabs Pub., Bari, Italy – pp. 380 + XII
ISBN: 978-88-7522-093-6 – ISSN: 2283-687X
doi: 10.14644/AES.002
Contents
- Introduction to Mg-rich clay minerals: Structure and composition (Stephen Guggenheim)
Methodology for the identification and characterization of magnesian clays (Emilio Galán and Patricia Aparicio) - Geology of magnesian clays in sedimentary and non-sedimentary environments (José Pedro Calvo and Manuel Pozo)
- Magnesian clay deposits: Mineralogy and origin (Manuel Pozo and Emilio Galán)
- Madrid Basin (Spain): a natural lab for the formation and evolution of magnesian clay minerals (Manuel Pozo and José Pedro Calvo)
- Geochemical pathways to Mg-silicate formation (Nicholas Tosca)
- Properties and applications of magnesian clays (Julio Santarén)
Interstratified Clay Minerals
Origin, Characterization & Geochemical Significance
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AIPEA Educational Series
Publication No.1
Editors: Saverio Fiore, Javier Cuadros & F. Javier Huertas
Lectures held at the 1st AIPEA School for Young Scientists
University of Bari, Italy, June 12-13, 2009
Digilabs Pub., Bari, Italy – pp. 175 – 2nd edition (2013)
ISBN: 978-88-7522-046-4
doi: 10.14644/AES.001
Contents
- Introduction to Mixed-Layer Clay Minerals (J. Cuadros, S. Fiore and F.J. Huertas)
- Crystal-Chemistry of Mixed-Layer Clays (J. Cuadros)
- Identification and Characterization of Mixed-Layer Clay Minerals by means of XRD of Oriented Clay Mounts (A. Plançon)
- Formation Mechanisms of Mixed-Layer Clay Minerals (A. Meunier)
- Identification and Characterization with Microscopic Methods (F. Nieto and X. Arroyo)
- Identification and Characterization of Interstratified Clay Minerals with Spectroscopic and other Classical Methods (P. Komadel and J. Madejová)
- Interstratified Clay Minerals in the Weathering Environment (R.E. Ferrell, Jr., P. Aparicio and J. Forsman)
- Evolution of Mixed-Layer Clay Minerals in Prograde Alteration Systems (Jan Srodon)