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Molecular Structure of Minerals
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Molecular Structure of Minerals

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Molecular Structure".

Deadline for manuscript submissions: 30 June 2024 | Viewed by 8923

Special Issue Editors

Dr. Dun Wu

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Guest Editor
School of Earth and Space Sciences (Anhui Green Mine Engineering Research Center), University of Science and Technology of China, Hefei, China
Interests: geochemistry; structural characterization; mineralization; mineral crystal; metamorphism
Dr. Yuhang Gao

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Guest Editor
Anhui Green Mine Engineering Research Center, Hefei, China
Interests: mineralogy; geochemistry
Dr. Guangqing Hu

E-Mail
Guest Editor
School of Earth and Space Sciences, University of Science and Technology of China, Hefei, China
Interests: environmental geochemistry of coal and mineralogical analysis of coal

Special Issue Information

Dear Colleagues,

The molecular structure of minerals is the basic feature of each mineral, the fundamental factor determining the mineral morphology, physical properties, and genesis, and an important symbol for the generation and evolution history of minerals. At present, the characterization techniques studying the molecular structure characteristics of minerals include XRD, thermal analysis, FTIR, Raman spectroscopy, and morphology observation techniques such as SEM and AFM. The characterization of mineral molecular structures can provide a scientific basis for the study of mineral genesis and evolution as well as the interpretation of various geological phenomena.

In recent years, research on the surface–interface interaction mechanism and environmental effect between minerals and environmental substances is very active. By combining with the latest means of mineralogical research, such as synchrotron radiation, in situ spectroscopy, adsorption models, computational simulation, etc., the surface–interface process and mechanism of minerals are revealed at the atomic and molecular levels, and the restriction mechanism of surface-derived minerals on the geochemical behavior of environmental substances is clarified.

The thermal and kinetic study of mineral molecular structures has also attracted much attention from the scientific community. There are corresponding change rules and internal relations in mineral chemical composition, internal structure, and physicochemical properties under high pressure (high temperature). Research on high-pressure new minerals and mineral phase transformation mechanisms is of great significance for the development of mineral resource utilization.

For this special issue on “Molecular Structure of Minerals”, we welcome the submission of original research articles, introducing the latest frontiers and developments in the characterization of mineral molecular structures, mineral evolution laws, mineral surface–interface interactions, high-pressure new minerals, and research on the mechanism of mineral phase transformation.

Dr. Dun Wu
Dr. Yuhang Gao
Dr. Guangqing Hu
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • mineral element composition
  • mineral spectroscopy
  • genetic mechanism of minerals
  • high-pressure minerals
  • mineral surface–interface interaction
  • utilization of mineral resources

Published Papers (6 papers)

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Editorial

Jump to: Research

4 pages, 177 KiB  
Editorial
Editorial for the Special Issue: “Spatial Structure of Minerals”
by Dun Wu, Guangqing Hu and Yuhang Gao
Molecules 2023, 28(20), 7226; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules28207226 - 23 Oct 2023
Viewed by 551
Abstract
The spatial structure of minerals is a fundamental factor in determining the morphology, physical properties, and genesis of minerals [...] Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)

Research

Jump to: Editorial

15 pages, 3848 KiB  
Article
Terahertz Time-Domain Spectroscopic Characteristics of Typical Metallic Minerals
by Jingjing Zhang, Haochong Huang, Pengbo Zhao, Luyong Xu, Zhenbo Tan, Jinyuan Zhao, Enhui Yuan, Zhiyuan Zheng, Shanshan Li, Xinyu Li and Kunfeng Qiu
Molecules 2024, 29(3), 648; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules29030648 - 30 Jan 2024
Cited by 1 | Viewed by 725
Abstract
Accurate identification and understanding of various metallic minerals are crucial for deciphering geological formations, structures, and ages. Giving their pivotal role as essential natural resources, a microscopic exploration of metallic minerals becomes imperative. Traditional analytical methods, while helpful, exhibit certain limitations. However, terahertz [...] Read more.
Accurate identification and understanding of various metallic minerals are crucial for deciphering geological formations, structures, and ages. Giving their pivotal role as essential natural resources, a microscopic exploration of metallic minerals becomes imperative. Traditional analytical methods, while helpful, exhibit certain limitations. However, terahertz time-domain spectroscopy, distinguished by its high signal-to-noise ratio, expansive frequency band, and low incident wave energy, is a promising complement to conventional techniques in characterizing metallic minerals. This study employs terahertz time-domain spectroscopy to examine samples of Stibnite, Sphalerite, Galena, and Pyrite originating from diverse geological conditions. The vibrations of molecules within these metallic minerals induce discernible changes in the terahertz spectra. Our findings untiate the extensive potential of terahertz time-domain spectroscopy in the characterization of metallic minerals, affirming its considerable practical value in mineral resource exploration. Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)
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16 pages, 5831 KiB  
Article
Effect of Wet-Dry Cycles on the Mechanical Performances and Microstructure of Pisha Sandstone
by Yanbing Zhao, Caiqian Yang, Feng Qu, Zhiren Wu, Kejie Ding and Zhishui Liang
Molecules 2023, 28(6), 2533; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules28062533 - 10 Mar 2023
Cited by 1 | Viewed by 1181
Abstract
The effects of the wet–dry cycles on the chemical compositions, microstructure, and mechanical properties of Pisha sandstone were experimentally investigated in the current study. A series of uniaxial compression tests were conducted to validate the deterioration of the mechanical property of specimens after [...] Read more.
The effects of the wet–dry cycles on the chemical compositions, microstructure, and mechanical properties of Pisha sandstone were experimentally investigated in the current study. A series of uniaxial compression tests were conducted to validate the deterioration of the mechanical property of specimens after wet–dry cycles. In addition, the evolutions of the mineral compositions and microstructure characteristics were confirmed by X-ray diffraction (XRD) and scanning electron microscope (SEM). Experimental results indicated that with the increase of wet–dry cycles, the mechanical properties of Pisha sandstone gradually decrease. After five wet–dry cycles, the uniaxial compressive strength, elastic modulus, and fracture energy of specimens were reduced by 41.06%, 62.39%, and 31.92%, respectively. The failure mode of the specimen changes from inclined shear failure to peel failure. Compared to the initial specimens, the relative content of primary minerals after five wet–dry cycles declined by 5.94%, and the relative content of clay minerals after five wet–dry cycles increased by 54.33%. Additionally, the porosity of samples exhibits a positive correlation with wet–dry cycles. Compared to the initial specimens, the porosity of specimens after five wet–dry cycles increased by 176.32%. Finally, a prediction model of the correlation between uniaxial compressive strength and porosity is proposed and verified. Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)
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14 pages, 4993 KiB  
Article
Remediation of Soil Mercury by Modified Vermiculite-Montmorillonite and Its Effect on the Growth of Brassica chinensis L.
by Chang Li, Yuchen Li, Hua Cheng, Chunlu Jiang and Liugen Zheng
Molecules 2022, 27(16), 5340; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27165340 - 22 Aug 2022
Cited by 4 | Viewed by 1481
Abstract
In this study, the surface of vermiculite-montmorillonite was modified by MnO2 loading. The modified vermiculite-montmorillonite was added to remediate the potentially toxic trace element (PTE) Hg present in soil containing coal gangue. Pot experiments were conducted to analyze and compare the pH [...] Read more.
In this study, the surface of vermiculite-montmorillonite was modified by MnO2 loading. The modified vermiculite-montmorillonite was added to remediate the potentially toxic trace element (PTE) Hg present in soil containing coal gangue. Pot experiments were conducted to analyze and compare the pH values, Hg contents and Hg species present in coal gangue-containing soil, with and without the modified materials added, to determine whether the addition of modified materials had an effect on the growth of Brassica chinensis L. Results showed that with the addition of 35 g·kg−1 modified vermiculite-montmorillonite, the pH of soil increased by a value of 0.79, compared with that in the control group. When 15 g·kg−1 was added, the concentration of Hg in soil decreased by 98.2%. The addition of modified materials promoted the transformation of Hg in soil from a bioavailable form to an unavailable form; that is, the content of the residual form increased. The plant height and biomass of Brassica chinensis L. also increased, which indicated that the addition of modifiers can increase soil productivity, reduce the effects of PTEs on organisms in soil, and promote plant growth. Therefore, the addition of modified vermiculite-montmorillonite can achieve remediation of coal gangue-containing soil. Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)
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12 pages, 3903 KiB  
Article
Experimental Study on the Mechanical Properties and Microstructure of Metakaolin-Based Geopolymer Modified Clay
by Xianzeng Shi, Qingkun Zha, Shuqing Li, Guojun Cai, Dun Wu and Chaojiao Zhai
Molecules 2022, 27(15), 4805; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27154805 - 27 Jul 2022
Cited by 10 | Viewed by 1677
Abstract
Clay is found in some countries all over the world. It usually has low compressive strength and cannot be used as a bearing material for subgrade soil. In this paper, the influence of basicity on a metakaolin-based polymer binder to improve clay was [...] Read more.
Clay is found in some countries all over the world. It usually has low compressive strength and cannot be used as a bearing material for subgrade soil. In this paper, the influence of basicity on a metakaolin-based polymer binder to improve clay was studied. The effects of the molar concentration of the alkali activator, different concentration of the metakaolin-based geopolymer and curing time on unconfined compressive strength were studied. The alkali activator-to-ash ratio was maintained at 0.7. The percentage of metakaolin added to the soil relative to metakaolin and soil mixture was 6%, 8%, 10% and 12%. The sodium hydroxide concentrations are 2M, 4M, 6M and 8M. Unconfined compressive strength (UCS) was tested on days 3, 7, 14 and 28, respectively. Compared with original clay, the results show that the unconfined compressive strength increases with the increase in metakaolin content and molar concentration of NaOH. The maximum compressive strength of the sample with NaOH concentration of 8M and percentage of 12% was 4109 kN on the 28th day, which is about 112% higher than that of the original clay. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) results showed that the cementing compound covered the clay particles due to the reaction of the geopolymer with the clay, resulting in the formation of adhesive particles. The main purpose of this study is to verify the effectiveness and stability of metakaolin-based geopolymer binder polymerization under normal temperature and a strong alkali environment. The results can provide parameters for the application and promotion of metakaolin-based geopolymers in soil improvement engineering. Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)
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17 pages, 5798 KiB  
Article
Biocementation of Pyrite Tailings Using Microbially Induced Calcite Carbonate Precipitation
by Bo Kang, Fusheng Zha, Weihao Deng, Runkai Wang, Xianguo Sun and Zhitang Lu
Molecules 2022, 27(11), 3608; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27113608 - 04 Jun 2022
Cited by 18 | Viewed by 2110
Abstract
Tailing sand contains a large number of heavy metals and sulfides that are prone to forming acid mine drainage (AMD), which pollutes the surrounding surface environment and groundwater resources and damages the ecological environment. Microbially induced calcium carbonate precipitation (MICP) technology can biocement [...] Read more.
Tailing sand contains a large number of heavy metals and sulfides that are prone to forming acid mine drainage (AMD), which pollutes the surrounding surface environment and groundwater resources and damages the ecological environment. Microbially induced calcium carbonate precipitation (MICP) technology can biocement heavy metals and sulfides in tailing sand and prevent pollution via source control. In this study, through an unconfined compressive strength test, permeability test, and toxic leaching test (TCLP), the curing effect of MICP was investigated in the laboratory and the effect of grouting rounds on curing was also analyzed. In addition, the curing mechanism of MICP was studied by means of Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction spectroscopy (XRD), and scanning electron microscopy (SEM). The experimental results showed that MICP could induce calcium carbonate precipitation through relatively complex biochemical and physicochemical reactions to achieve the immobilization of heavy metals and sulfides and significantly reduce the impact of tailing sand on the surrounding environment. Full article
(This article belongs to the Special Issue Molecular Structure of Minerals)
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