Computational modeling in Clay Mineralogy


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

  • 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


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

  • 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


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

  • 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)

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