Phyllosophical News

The Clay Minerals Group Newsletter

Editors

  • Megan Baker
  • Jagannath Biswakarma
  • Nia Gray-Wannell
  • Hannah Pollak
  • Gloria Wie-Addo

Welcome to the 4th edition of Phyllosophical News!

  • Welcome to the 4th edition of Phyllosophical News! We have a broad selection of articles in this edition, which range from computational analysis of clay minerals and exploring how FTIR can be a powerful tool for clay mineralogy research to our three selected papers to watch from Clay Minerals, as chosen by the editor. In addition, we have a great interview with Darren Bowkett from Ibstock PLC. Behind the scenes, we have undergone a big change in the newsletter editing team, with Megan and Nia working on this issue with the three new editors Hannah, Jagannath and Gloria before stepping back from the role. We’re excited to see where the new team will take the newsletter, and, along with Maggie (the third original editor), we’re delighted to have been involved in the newsletter over the past two years. We hope that you enjoy this issue and, as always, if you have any feedback or suggestions for contributions then please email CMGnewsletter.minsoc@gmail.com
Previous newsletters

Contents

  1. Calendar
  2. Guess the Clay Mineral
  3. Clay Minerals articles to look out for as selected by the Clay Minerals editor
  4. Unveiling secrets of microscopic worlds: Molecular modelling in clay science
  5. Application of Fourier Transform Infrared (FTIR) spectroscopy in understanding clay minerals
  6. Interview with: Darren Bowkett, Technical and Strategic Projects Director of Ibstock PLC

Calendar

Meetings

16 - 17 May 2024

Online

Museum Wales Cardiff

24 May 2024

12 Aug 2024

Registration link

Registration link

University of Edinburgh

Registration link

CMG Workshop an Clay Minerals Group RiP meeting
Abstract deadline: 1 May 2024

Mineralogy and Museums 10 Conference

AIPEA Webinar

Conferences

3 - 6 Jun 2024

Expanding Clay Science
61st CMS meeting/5th Asian Clay Conference

18 - 23 Aug 2024

Honolulu, Hawai’i

Registration link

EMC2 Conference
4th European Mineralogical conference

Dublin, Ireland

Registration link

25 - 31 Aug 2024

37th International Geological Congress

Busan, Korea

Registration Link

15 - 20 Sept 2024

11th Mid-European Clay Conference

Pilsen, Czechia

Website coming soon

2 Oct 2024

Clay Research Conference and Workshops

University of Oxford

Registration link

Upcoming AIPEA webinar
‍
The next event of the AIPEA Early Career Clay Scientist Network’s bimonthly webinar series will be organized by the representative of the Clay Mineral Society (CMS), Bhabananda Biswas on Friday 24th May at 6 AM (California); 3 PM (Paris); 7 PM (Dhaka); 11 PM (Sydney).
‍
6:00-6:05 / 15:00–15:05 / 19:00-19:05 / 23:00-23:05
Bhabananda Biswas
‍Introduction to the CMS and the new event series “Clayminar”.
‍  
6:05-6:30 / 15:05–15:30 / 19:05-19:30 / 23:05-23:30 
Zachary Florentino Murguía Burton
Adjunct Lecturer in Earth & Planetary Sciences at Stanford University, USA"Mojave to Mars: Clay minerals in Earth's extreme deserts as analogs for aqueous alteration across
the Solar System"
‍
6:30-6:55 / 15:30–15:55 / 19:30-19:55 / 23:30-23:55
Amal Kanti Deb
Associate professor at the Institute of Leather Engineering and Technology, University of Dhaka, Bangladesh “Halloysite Supported Nano Functional Materials for Environmental applications- Green Synthesis and Sustainable Remediation Approaches” 

Sign up here to register

Guess the Clay Mineral

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Image taken from the Mineralogical Society Images of Clay archive

Clay Minerals articles to look out for as selected by the Clay Minerals editor

Unveiling Secrets of Microscopic Worlds: Molecular Modelling in Clay Science

Valentina Erastova, Hannah Pollak

The first theoretical calculations in chemistry go back nearly a hundred years (Heitler, W. et al., (1927) Z. Physik, 44, 455–472). However, it was not until the advent of computers a couple of decades later that the calculations of multi-atomic systems became feasible. Today, propelled by advancements in both hardware and algorithms, computational chemistry has blossomed, with many techniques developed, granting us unprecedented access to molecular scales with unparalleled accuracy and detail.
At the heart of this revolution is molecular modelling, a computational approach that seeks to elucidate the behaviour of systems with atomistic detail. While computational chemistry encompasses a wide array of techniques, from quantum mechanics to classical molecular dynamics simulations, in its basis, it relies on mathematical models and computational algorithms to solve the equations governing interactions and motions of atoms that comprise molecules and materials. Leveraging the power of supercomputers, we now can simulate complex molecular systems, from ultra-fast chemistry of excited states to large biomolecular assemblies and inorganic materials.
The utility of molecular modelling goes beyond its applications in chemistry and extends across disciplines. In the field of clay science, it has proven itself as a powerful tool for understanding the structure, dynamics, and reactivity of clay minerals at the molecular level. Here, the primary motivation for performing molecular simulations is their ability to elucidate the complex interplay between clay minerals and their surrounding environment, describe processes at the interface, and understand how the structure of clays defines their function. To this end, simulating interactions between clay minerals and water, ions, and organic molecules gives us insights into fundamental clay properties, such as ionic exchange or swelling, and allows us to predict the capacity of clays for various applications, from targeted pollution remediation to drug delivery. (Cygan, R. T. et al., (2009) J. Mater. Chem., 19, 2470-2481)
While simulations only provide insights into processes at the atomistic scales and over nano/microsecond timescales, their ability to model many system perturbations allows us to leverage statistics and create a probabilistic representation of the macroscopic phenomenon. This gives modelling a predictive power and an ability to extrapolate the processes and system's evolution over extended time and size scales.
As an example, in the quest for solutions to environmental challenges, molecular modelling supports efforts in nuclear pollution management. To this end, molecular simulations of clay mineral interactions with radionuclides under relevant environmental conditions offer a safe tool for predicting the nuclear contaminant spread, identifying routes to pollution remediation, and guiding the development of clay-based materials for long-term nuclear waste storage. (Ma, Z. et al., (2018) Appl. Clay Sci., 168, 436-449)
Furthermore, molecular models establish themselves as a powerful tool to study otherwise unattainable conditions of far-gone past or at locations in the distant universe. In such cases, even a laboratory experiment will still be a simulation. The subject of such a quest is unravelling the origin of life or searching for its extraterrestrial evidence in the form of biosignatures. Through sequences of molecular simulations, we can test our hypothesis and identify a set of attainable laboratory experiments for further validation. In the end, the timescales available for life-forming processes could have spanned beyond the duration of human life, let alone a graduate student degree. (Erastova, V. et al., (2017) Nat. commun., 8, 2033)
At the same time, with the developments in space missions, the search for evidence of extraterrestrial past life is now becoming a reality. Martian Rovers are now examining clay-rich soils, as those provide the optimal environment for biosignature preservation. However, identifying organic materials must be scrutinised before any conclusions can be made about their potential as evidence of ancient life. Yet, unable to return the samples to Earth, simulations are well positioned to offer guidance on the location-specific chemistry at the mineral interface, assisting in the search for biosignatures. (Pollak, H. et al., (2023) Goldschmidt  2023 Conference)
In the grand tapestry of science, molecular modelling not only illuminates microscopic phenomena but also informs our understanding of macroscopic processes, connecting time and space across our Universe.

Fig. 1.
Colorized image of the ancient delta of Jezero crater on Mars, overlayed by a rendering of molecular simulation of glycine interaction with nontronite clays in the presence of ions.  

Application of Fourier Transform Infrared (FTIR) Spectroscopy in Understanding Clay Minerals

Ernest Afriyie, Jean A. H. Robertson and Ahmed Abd Elmola

Clay minerals typically exhibit distinct structures, characterized by octahedral coordination of cations such as Al, Fe, or Mg, with O(H) bound to one (1:1) or two (2:1) sheets of either Si4+, Al3+, or Fe3+ in tetrahedral coordination with O (Brigatti et al., 2013). When substitutions happen within the tetrahedral and/or octahedral sheets of clay minerals, they create imbalances in charge. To maintain charge neutrality, interlayer materials are needed. These interlayer materials typically include cations, organic material, and/or hydroxide octahedral sheets.
FTIR spectroscopy enables researchers to analyse the molecular composition of clay minerals by measuring the absorption and transmission of IR light. This absorption and transmission responses provide valuable insights into the structural composition, chemical bonding, and functional groups present in clay minerals, facilitating their identification and characterization. Moreover, insights into the populations of cations in clays are useful information the IR spectrum makes available.
FTIR differentiation and characterization of layer silicate minerals primarily rely on vibrations associated with their constituent units, i.e., hydroxyl groups, silicate anions, octahedral cations, and interlayer cations. Hydroxyl group vibrations manifest as O-H stretching and bending at 3750–3400 cm-1 and 950–600 cm-1, respectively. Meanwhile, silicate Si-O stretching occurs within the ranges of 1200–700 cm-1 and 700–400 cm-1, with potential overlap observed with octahedral cation absorbances in the latter range.
The IR spectra of two different clay minerals, i.e., kaolinite (1:1 dioctahedral layer silicate), montmorillonite (2:1 dioctahedral smectite) and a sesquioxide (aluminium hydroxide) mineral in gibbsite, are shown in Figure 1. Notable differences in the 1:1 and 2:1 layer silicate spectrum are observed in the OH and Si–O stretching regions. The 1:1 layer silicate and aluminium hydroxide exhibit two or more OH stretching vibrations from 3700 to 3620 cm-1 (with both kaolinite and gibbsite displaying four bands, for which bands of gibbsite appear at lower frequencies). In contrast, the 2:1 mineral shows only a single OH stretching band. The Si–O stretching and OH bending region (Figure 1) can also be quite informative for differentiating between the layer silicates.
Furthermore, FTIR can be a reliable tool for distinguishing between certain clay minerals that share the same chemical composition but possess different crystal structures (e.g., different layer orientations). The number and location of the OH stretching bands in the 1:1 layer silicates (Figure 2) have provided differentiating features to distinguish between minerals within structural groupings (i.e., kaolinite, dickite, nacrite).
Vibrational spectroscopy offers diverse applications in studying clay minerals, as demonstrated by various studies employing FTIR spectroscopy. These range from exploring water interactions and uptake onto clay minerals to monitoring structural changes induced by HCl and temperature. Additionally, FTIR spectroscopy has been used in evaluating the interactions of agrochemicals and contaminants with layer silicates and metal oxides, studying inorganic ion and organic sorption to mineral surfaces.
Continuous advancements in FTIR instrumentation towards the realisation of in-situ application will open a huge potential for real time analysis of various biogeochemical processes occurring at soil-water interfaces with potential for interdisciplinary collaborations to further advance the science. In addition, there is a growing need for further development in combining FTIR with machine learning algorithms. This integration holds the potential for more accurate quantification of clay minerals.

REFERENCE
​​Brigatti, M. F., Galán, E., & Theng, B. K. G. (2013). Structure and Mineralogy of Clay Minerals (pp. 21–81). https://doi.org/10.1016/B978-0-08-098258-8.00002-X

Fig 1. Comparison of FTIR spectra of 3 different minerals.

Fig 2. FTIR spectra of (a) kaolinite, (b) dickite, (c) nacrite.

Interview with: Darren Bowkett, Technical and Strategic Projects Director of Ibstock PLC

How did you get into your current role?
‍I realised very early in my working life that it was very important to focus on two areas. One was having the background knowledge, and the other was to learn from others with much more real-life experience. I was lucky enough to be sponsored by my company to go to college, and I became a Graduate in Ceramics. I also received training in other areas, including health and safety, as well as environmental management. All this gave me the background knowledge necessary to help me progress. I started my career working in factories, which gave me an important understanding of the process, the challenges, and the opportunities our people face. I also worked in different business areas, which gave me a more rounded understanding of the business. This gives you a firm foundation for progression and ultimately helped me with what I needed to know when I was appointed as Director in 2013.  

What is the most interesting part of your job?
‍There are two areas I enjoy: one is seeing colleagues develop and progress, and the other is innovating to find solutions in critical areas such as sustainability. Over my career several of my direct reports have gone on to greater roles and I am very proud to see them flourish. With regard to sustainability, I have a number of project teams who are making great strides in addressing this key business area, and I love it when these developments develop and move towards becoming a reality.  

Have you had any recent projects you can outline?
‍We have been working on several projects, particularly those centred on sustainability. We have made significant strides in reducing our use of plastic packaging across several of our factories. We are trialling alternative materials to reduce the fuels used in some of our brick manufacturing processes. We have managed to manufacture some products using synthetic gas created from waste to replace natural gas. We continue to work on several projects that will make us more sustainable.

‍What is the most challenging part of your job?
I mentioned previously finding solutions in critical areas such as sustainability. If it had been easy to overcome, it would have been done by now. I am very lucky to have worked with talented individuals who work together to find solutions, and this has allowed us to progress on many of the projects.

‍Do you have any advice for someone interested in going from academia to industry?
‍Just because you have the qualifications, it does not mean you know it all. You must be open to further learning in a classroom and work environment. Be prepared to listen to those who have done the job at all levels, take an interest in what they do, and they will reciprocate back to you with worthwhile information which will help you develop as a person and an employee.