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  • Article
  • Open Access
28 Citations
3,752 Views
12 Pages

Silicate Dissolution Mechanism from Metakaolinite Using Density Functional Theory

  • Mohammadreza Izadifar,
  • Neven Ukrainczyk and
  • Eduardus Koenders

27 March 2023

Metakaolin (MK) is a high-quality, reactive nanomaterial that holds promising potential for large-scale use in improving the sustainability of cement and concrete production. It can replace cement due to its pozzolanic reaction with calcium hydroxide...

(This article belongs to the Special Issue First-Principles Investigations of Low-Dimensional Nanomaterials)
  • Article
  • Open Access
22 Citations
7,201 Views
32 Pages

27 January 2021

Efficient and accurate cement hydration simulation is an important issue for predicting and analyzing concrete’s performance evolution. A large number of models have been proposed to describe cement hydration. Some models can simulate the test...

(This article belongs to the Special Issue Concrete Materials: Advancement in Materials Design, Manufacturing, and Applications)
  • Article
  • Open Access
3 Citations
2,898 Views
21 Pages

18 December 2023

Thematic learning features sustain exploratory activities focused on a selected theme, which contributes to developing students’ core competencies, including problem solving, collaboration, and communication skills, supporting sustainable devel...

(This article belongs to the Section Sustainable Education and Approaches)
  • Review
  • Open Access
7 Citations
4,106 Views
29 Pages

14 May 2021

The kinetics of the dissolution of salts and minerals remains a field of active research because these reactions are important to many fields, such as geochemistry, extractive metallurgy, corrosion, biomaterials, dentistry, and dietary uptake. A nove...

(This article belongs to the Section Crystallography and Physical Chemistry of Minerals & Nanominerals)
  • Article
  • Open Access
37 Citations
6,095 Views
20 Pages

Physicochemical Characterization of a Co-Amorphous Atorvastatin-Irbesartan System with a Potential Application in Fixed-Dose Combination Therapy

  • Marcin Skotnicki,
  • Barbara Jadach,
  • Agnieszka Skotnicka,
  • Bartłomiej Milanowski,
  • Lidia Tajber,
  • Marek Pyda and
  • Jacek Kujawski

The aim of this study was to characterize a 1:1 molar ratio of a pharmacologically relevant co-amorphous atorvastatin-irbesartan (ATR-IRB) system obtained by quench cooling of the crystalline ATR/IRB physical mixture for potential use in the fixed-do...

(This article belongs to the Special Issue Impact of Physicochemical Properties of Pharmaceutical Substances on Dosage Form Performance)
  • Article
  • Open Access
4 Citations
1,977 Views
14 Pages

7 August 2024

The dissolution of calcium ions in concrete in a low-alkalinity environment is an important factor causing a significant increase in the porosity of internal concrete, leading to a deterioration in its mechanical properties and affecting the durabili...

(This article belongs to the Section Construction and Building Materials)
  • Article
  • Open Access
1,423 Views
20 Pages

31 March 2026

Although the dissolution of sparingly soluble salts is of interest to many fields, such as material science, dentistry, and geochemistry, the simplicity of these reactions provides its own motivation for study. Three features of these reactions are e...

(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
  • Article
  • Open Access
20 Citations
3,332 Views
15 Pages

Effect of Deep Eutectic System (DES) on Oral Bioavailability of Celecoxib: In Silico, In Vitro, and In Vivo Study

  • Soumalya Chakraborty,
  • Rohit Y. Sathe,
  • Jaydeep H. Chormale,
  • Ashish Dangi,
  • Prasad V. Bharatam and
  • Arvind K. Bansal

Different deep eutectic systems (DES) of choline chloride (CC)–urea (UA) (1:2), CC–glycerol (GLY) (1:2), CC–malonic acid (MA) (1:1), and CC–ascorbic acid (AA) (2:1) were generated and characterized by polarized light microscop...

(This article belongs to the Section Physical Pharmacy and Formulation)
  • Article
  • Open Access
9 Citations
3,698 Views
12 Pages

Determination of Inherent Dissolution Performance of Drug Substances

  • Dominik Sleziona,
  • Amelie Mattusch,
  • Gerhard Schaldach,
  • David R. Ely,
  • Gabriele Sadowski and
  • Markus Thommes

The dissolution behavior of novel active pharmaceutical ingredients (API) is a crucial parameter in drug formulation since it frequently affects the drug release. Generally, a distinction is made between surface-reaction- and diffusion-controlled dru...

(This article belongs to the Special Issue Impact of Physicochemical Properties of Pharmaceutical Substances on Dosage Form Performance)
  • Article
  • Open Access
10 Citations
3,129 Views
14 Pages

4 February 2021

Electrochemical machining (ECM) is a non-traditional machining technology that is widely used in the manufacturing of key components in the aviation industry. The current efficiency is defined as the ratio of the observed amount of dissolved metal to...

  • Review
  • Open Access
180 Citations
12,758 Views
33 Pages

Behavior and Potential Impacts of Metal-Based Engineered Nanoparticles in Aquatic Environments

  • Cheng Peng,
  • Wen Zhang,
  • Haiping Gao,
  • Yang Li,
  • Xin Tong,
  • Kungang Li,
  • Xiaoshan Zhu,
  • Yixiang Wang and
  • Yongsheng Chen

22 January 2017

The specific properties of metal-based nanoparticles (NPs) have not only led to rapidly increasing applications in various industrial and commercial products, but also caused environmental concerns due to the inevitable release of NPs and their unpre...

  • Review
  • Open Access
5 Citations
4,903 Views
17 Pages

18 June 2022

Leaching is a central unit operation in the hydrometallurgical processing of minerals, which often occurs by means of electrochemical reactions. Application of mixed potential theory to explain the kinetics of oxidative and reductive leaching process...

(This article belongs to the Special Issue Feature Papers in Reactions in 2022)
  • Feature Paper
  • Article
  • Open Access
5 Citations
4,411 Views
16 Pages

Enhancing Lithium-Sulfur Battery Performance by MXene, Graphene, and Ionic Liquids: A DFT Investigation

  • Jianghui Cao,
  • Sensen Xue,
  • Jian Zhang,
  • Xuefeng Ren,
  • Liguo Gao,
  • Tingli Ma and
  • Anmin Liu

19 December 2023

The efficacy of lithium-sulfur (Li-S) batteries crucially hinges on the sulfur immobilization process, representing a pivotal avenue for bolstering their operational efficiency and durability. This dissertation primarily tackles the formidable challe...

(This article belongs to the Special Issue The Way Forward in MXenes Materials)
  • Article
  • Open Access
47 Citations
4,116 Views
19 Pages

27 October 2020

Many calorimetric studies have been carried out to investigate the reaction process of alkali-activated slag paste. However, the origin of the induction period and action mechanism of soluble Si in the dissolution of slag are still not clear. Moreove...

  • Article
  • Open Access
1 Citations
2,423 Views
17 Pages

Realistic Simulation of Dissolution Process on Rock Surface

  • Xiaoying Nie,
  • Chunqing Zhou,
  • Zhaoxi Yu and
  • Gang Yang

19 October 2024

Hydraulic dissolution, driven by carbon dioxide-rich precipitation and runoff, leads to the gradual breakdown and removal of soluble rock materials, creating unique surface and subsurface features. Dissolution is a complex process that is related to...

(This article belongs to the Special Issue Development of Machine Learning and Artificial Intelligence Algorithms in Environmental Retrieval Tasks)
  • Review
  • Open Access
43 Citations
7,775 Views
27 Pages

Drug-Rich Phases Induced by Amorphous Solid Dispersion: Arbitrary or Intentional Goal in Oral Drug Delivery?

  • Kaijie Qian,
  • Lorenzo Stella,
  • David S. Jones,
  • Gavin P. Andrews,
  • Huachuan Du and
  • Yiwei Tian

Among many methods to mitigate the solubility limitations of drug compounds, amorphous solid dispersion (ASD) is considered to be one of the most promising strategies to enhance the dissolution and bioavailability of poorly water-soluble drugs. The e...

(This article belongs to the Special Issue Solid Dispersions for Drug Delivery: Applications and Preparation Methods)
  • Article
  • Open Access
19 Citations
7,397 Views
23 Pages

25 September 2017

Solution crystallization and dissolution are of fundamental importance to science and industry alike and are key processes in the production of many pharmaceutical products, special chemicals, and so forth. The ability to predict crystal growth and d...

(This article belongs to the Special Issue Advances in Computer Simulation Studies on Crystal Growth)
  • Article
  • Open Access
5 Citations
2,520 Views
15 Pages

13 July 2024

To study the influence of water–rock interactions on the deterioration of rock, particularly the problems of the complex dissolution mechanism of dolomite and the difficulty in establishing chemical damage, dolomite obtained from a tunnel in Yu...

(This article belongs to the Special Issue Karst Dynamic System and Its Water Resources Environmental Effects, 2nd Edition)
  • Article
  • Open Access
2 Citations
1,900 Views
11 Pages

Effect of Surface Dissolution on Dislocation Activation in Stressed FeSi6.5 Steel

  • Dong Zhao,
  • Feng Ye,
  • Binbin Liu,
  • Haoyang Du,
  • Yaakov B. Unigovski,
  • Emmanuel M. Gutman and
  • Roni Shneck

23 October 2022

The effects of surface dissolution on dislocation activation in FeSi6.5 steel are quantitatively studied by analyzing the stress relaxation data using the thermal activation theory of dislocation. The stressed FeSi6.5 steel sample in acid solutions (...

  • Article
  • Open Access
6 Citations
1,898 Views
10 Pages

25 October 2024

In this study, the release behavior of Pb(II) ions from the galena surface and their occurrence forms in the migration process under acid and alkaline conditions were investigated by dissolution experiment, the density functional theory (DFT) calcula...

(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
  • Article
  • Open Access
18 Citations
3,476 Views
14 Pages

Direct Visualization of Nanoscale Salt Precipitation and Dissolution Dynamics during CO2 Injection

  • Xinling Hu,
  • Jian Wang,
  • Liang Zhang,
  • Hongli Xiong,
  • Zengding Wang,
  • Huazheng Duan,
  • Jun Yao,
  • Hai Sun,
  • Lei Zhang and
  • Junjie Zhong
  • + 1 author

16 December 2022

CO2 injection to enhance shale oil recovery provides a win-win solution to meet the global fuel shortage and realize ultimate carbon neutrality. When shale reservoirs contain high salinity water, CO2 injection can result in salt precipitation to bloc...

(This article belongs to the Special Issue New Advances in Low-Energy Processes for Geo-Energy Development)
  • Article
  • Open Access
2 Citations
1,056 Views
26 Pages

Protolysis Reaction on Pyrophyllite Surface Molecular Models: A DFT Study

  • María Bentabol,
  • Carlos Pérez del Valle,
  • Alfonso Hernández-Laguna and
  • F. Javier Huertas

24 November 2025

Understanding the mechanisms of mineral dissolution at the atomic scale is crucial for interpreting geochemical processes in soils and sediments, particularly those involving clay minerals. This study addresses the dissolution of pyrophyllite, a mode...

(This article belongs to the Special Issue Advances in Density Functional Theory (DFT) Calculation)
  • Article
  • Open Access
45 Citations
10,218 Views
12 Pages

26 September 2016

Parameters affecting the kinetics of the dissolution of β-spodumene with hydrofluoric acid have been investigated. The experimental tests were carried out in a closed vessel. The influence of several parameters, such as stirring speed, temperature, a...

  • Article
  • Open Access
4 Citations
3,604 Views
13 Pages

Influence of Th, Zr, and Ti Dopants on Solution Property of Xe in Uranium Dioxide with Defects: A DFT + U Study

  • Liu Pan,
  • Zhen Wang,
  • Qingqing Wang,
  • Zhixiao Liu,
  • Min Pan,
  • Zheng Huang and
  • Lu Wu

23 May 2022

To ensure the safety and efficient operation of nuclear reactors, it is imperative to understand the effects of various dopants (Ti, Th, and Zr) on the solubility of the fission product Xe in UO2. In this study, Hubbard corrected density functional t...

(This article belongs to the Section Computation and Simulation on Metals)
  • Article
  • Open Access
36 Citations
4,740 Views
17 Pages

Dissolution of Portlandite in Pure Water: Part 2 Atomistic Kinetic Monte Carlo (KMC) Approach

  • Mohammadreza Izadifar,
  • Neven Ukrainczyk,
  • Khondakar Mohammad Salah Uddin,
  • Bernhard Middendorf and
  • Eduardus Koenders

15 February 2022

Portlandite, as a most soluble cement hydration reaction product, affects mechanical and durability properties of cementitious materials. In the present work, an atomistic kinetic Monte Carlo (KMC) upscaling approach is implemented in MATLAB code in...

(This article belongs to the Special Issue Mathematical Modeling of Building Materials)
  • Article
  • Open Access
5 Citations
2,310 Views
16 Pages

Molecular Dynamics Calculation of the Coordination Behavior of Yb (III) in Sodium Carbonate Solution

  • Qiaofa Lan,
  • Youming Yang,
  • Ziyu Xie,
  • Haoran Guo,
  • Donghui Liu and
  • Xiaolin Zhang

2 September 2023

Yb (III) shows complex behavior of coordination dissolution and precipitation in carbonate solutions, but the properties of CO32− coordination and hydration to Yb (III) in the solution have not been explicated. In this work, the dissolution rul...

(This article belongs to the Special Issue Extraction and Recovery of Valuable Metals from Waste and Mineral Materials)
  • Article
  • Open Access
5,205 Views
20 Pages

29 August 2024

The closure of religious communities throughout England, commonly known as the ‘dissolution of the monasteries’, was commenced in 1536 and completed to all intents and purposes by 1540, resulting in what one commentator has recently descr...

(This article belongs to the Special Issue Dissolutions of Monasteries)
  • Article
  • Open Access
1 Citations
5,374 Views
14 Pages

Molecularly-Limited Fractal Surface Area of Mineral Powders

  • Petr Jandacka,
  • Jaromir Pistora,
  • Jan Valicek and
  • Vilem Madr

13 May 2016

The topic of the specific surface area (SSA) of powders is not sufficiently described in the literature in spite of its nontrivial contribution to adsorption and dissolution processes. Fractal geometry provides a way to determine this parameter via r...

(This article belongs to the Special Issue Mineral Surface Science and Nanogeoscience)
  • Article
  • Open Access
39 Citations
11,184 Views
16 Pages

The purpose of this study is to confirm the impact of polar functional groups on inter and intra-molecular hydrogen bonding in haloperidol (HP) and droperidol (DP) and, hence, their effects on dissolution using a new approach. To confirm our theory,...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
5 Citations
2,397 Views
18 Pages

24 January 2025

Oxide phases such as α-Fe2O3 (hematite) and α-Al2O3 (corundum) are highly insoluble in water; however, subcritical crack growth has been observed in humidity nonetheless. Chemically induced bond breaking at the crack tip appears unlikely...

(This article belongs to the Special Issue Corrosion Resistance Enhancement of the Materials Surface—Second Edition)
  • Article
  • Open Access
7 Citations
4,058 Views
14 Pages

Dissolution Kinetics of Chlorine from Iron Ore Sintering Dust

  • Honghu Tang,
  • Lihua Zhao,
  • Yue Yang,
  • Haisheng Han,
  • Li Wang and
  • Wei Sun

26 July 2021

Chlorine is generated during iron ore sintering, mostly in the form of alkali chlorides and primarily accumulates in sintering dust, which must be removed before reusing. In this study, an in-situ monitor leaching system based was designed to detect...

(This article belongs to the Section Extractive Metallurgy)
  • Article
  • Open Access
3 Citations
2,027 Views
17 Pages

27 May 2025

The structure and composition of the oxide layer on the surface of 316L stainless steel (SS) after exposure to alkaline high-temperature and high-pressure water for 2000 h are characterized using various analytical techniques. The oxide layer has a d...

(This article belongs to the Special Issue Corrosion Behavior of Alloys in Water Environments)
  • Article
  • Open Access
442 Views
22 Pages

16 June 2026

Since 2010, consumer-led organizations have emerged in Turkey’s major cities as alternatives to conventional food systems, aiming to connect ecological producers with consumers through disintermediated, fair-trade channels. While initially prom...

(This article belongs to the Section Sustainable Food)
  • Article
  • Open Access
43 Citations
7,564 Views
28 Pages

23 August 2012

We develop the general reconstruction scheme in two scalar model. The quintom-like theory which may describe (different) non-singular Little Rip or de Sitter cosmology is reconstructed. The number of scalar phantom dark energy models (with Little Rip...

(This article belongs to the Special Issue Modified Gravity: From Black Holes Entropy to Current Cosmology)
  • Feature Paper
  • Article
  • Open Access
17 Citations
3,689 Views
16 Pages

10 June 2022

Strontium-rich groundwater exists in the underlying carbonate rocks of the Tianjiazhai Shimachuan River basin, Fugu, China. In this study, the hydrochemical characteristics and formation mechanisms of Sr-rich groundwater were assessed using mathemati...

(This article belongs to the Special Issue Groundwater Quality and Public Health)
  • Article
  • Open Access
22 Citations
6,599 Views
22 Pages

Insights into the Surface Transformation and Electrochemical Dissolution Process of Bornite in Bioleaching

  • Hongbo Zhao,
  • Xiaotao Huang,
  • Minghao Hu,
  • Chenyang Zhang,
  • Yisheng Zhang,
  • Jun Wang,
  • Wenqing Qin and
  • Guanzhou Qiu

23 April 2018

In this work, density functional theory (DFT) calculations, X-ray photoelectron spectroscopy (XPS) and electrochemistry analysis were combined to analyze the electrochemical dissolution process of bornite during bioleaching. DFT calculations showed t...

(This article belongs to the Special Issue Interfacial Interactions between Metal Sulphides and Biomining Microbes: Insight into Biofilms and Omics Advances)
  • Feature Paper
  • Article
  • Open Access
6 Citations
3,686 Views
18 Pages

Ligand-Promoted Surface Solubilization of TiO2 Nanoparticles by the Enterobactin Siderophore in Biological Medium

  • Jérôme Laisney,
  • Mireille Chevallet,
  • Caroline Fauquant,
  • Camille Sageot,
  • Yohann Moreau,
  • Daniela Predoi,
  • Nathalie Herlin-Boime,
  • Colette Lebrun and
  • Isabelle Michaud-Soret

19 October 2022

Titanium dioxide nanoparticles (TiO2-NPs) are increasingly used in consumer products for their particular properties. Even though TiO2 is considered chemically stable and insoluble, studying their behavior in biological environments is of great impor...

(This article belongs to the Special Issue Biomolecule-Metal Ion Interaction)
  • Article
  • Open Access
29 Citations
8,676 Views
20 Pages

29 December 2021

The inherent value and use of hydrocarbons from waste plastics and solvents can be extended through open-loop chemical recycling, as this process converts plastic to a range of non-plastic materials. This process is enhanced by first creating plastic...

(This article belongs to the Special Issue Recycling of Plastics)
  • Article
  • Open Access
16 Citations
6,866 Views
16 Pages

Insight into the Structure and Properties of Novel Imidazole-Based Salts of Salicylic Acid

  • Inês C. B. Martins,
  • Dominik Al-Sabbagh,
  • Klas Meyer,
  • Michael Maiwald,
  • Gudrun Scholz and
  • Franziska Emmerling

15 November 2019

The preparation of new active pharmaceutical ingredient (API) multicomponent crystal forms, especially co-crystals and salts, is being considered as a reliable strategy to improve API solubility and bioavailability. In this study, three novel imidazo...

(This article belongs to the Special Issue Recent Development of Mechanochemical Synthesis)
  • Article
  • Open Access
12 Citations
2,800 Views
19 Pages

7 October 2022

There are abundant geothermal resources in the Xiong’an New Area, China. Drilling has revealed a greater potential in the deep Gaoyuzhuang geothermal reservoir. However, the reservoir required acidification to increase its water production. In...

(This article belongs to the Special Issue Hydrochemical Characteristics of Geothermal Water)
  • Article
  • Open Access
6 Citations
6,151 Views
15 Pages

Micromechanical Characterization of Hydrogels Undergoing Swelling and Dissolution at Alkaline pH

  • Wei Hu,
  • Francois Martin,
  • Romain Jeantet,
  • Xiao Dong Chen and
  • Ruben Mercadé-Prieto

18 November 2017

The swelling of polyelectrolyte hydrogels usually depends on the pH, and if the pH is high enough degradation can occur. A microindentation device was developed to dynamically test these processes in whey protein isolate hydrogels at alkaline pH 7–14...

(This article belongs to the Special Issue Polyelectrolyte Gels)
  • Article
  • Open Access
6 Citations
2,514 Views
13 Pages

23 May 2022

The Mesozoic Chang 8 Section in the Zhenjing area is a typical low permeability-tight sand reservoir and is regarded as the most important set of paybeds in the study area. Guided by the principles of basic geological theory, the diagenetic evolution...

(This article belongs to the Special Issue Natural Gas Hydrate and Deep-Water Hydrocarbon Exploration)
  • Article
  • Open Access
10 Citations
2,769 Views
15 Pages

Molecular Insights into CO2 Diffusion Behavior in Crude Oil

  • Chunning Gao,
  • Yongqiang Zhang,
  • Wei Fan,
  • Dezhao Chen,
  • Keqin Wu,
  • Shuai Pan,
  • Yuchuan Guo,
  • Haizhu Wang and
  • Keliu Wu

15 October 2024

CO2 flooding plays a significant part in enhancing oil recovery and is essential to achieving CCUS (Carbon Capture, Utilization, and Storage). This study aims to understand the fundamental theory of CO2 dissolving and diffusing into crude oil and how...

(This article belongs to the Special Issue Advances in Enhancing Unconventional Oil/Gas Recovery, 2nd Edition)
  • Article
  • Open Access
28 Citations
5,697 Views
11 Pages

The Effect of Chloride Ions on the Activity of Cerussite Surfaces

  • Qicheng Feng,
  • Shuming Wen,
  • Qinbo Cao,
  • Jiushuai Deng and
  • Wenjuan Zhao

6 September 2016

Chloride ions were found to potentially increase activity of cerussite surfaces. Dissolution experiments, zeta potential measurements, X-ray photoelectron spectroscopy (XPS) studies, and density functional theory (DFT) computation were conducted in t...

(This article belongs to the Special Issue Mineral Surface Science and Nanogeoscience)
  • Article
  • Open Access
3 Citations
2,205 Views
16 Pages

The Effects of Toluene Mineralization under Denitrification Conditions on Carbonate Dissolution and Precipitation in Water: Mechanism and Model

  • Shuang Gan,
  • Min Zhang,
  • Yahong Zhou,
  • Caijuan Guo,
  • Shuai Yang,
  • Yan Xie,
  • Xinzhe Wang,
  • Lin Sun and
  • Zhuo Ning

30 October 2023

The mineralization of benzene, toluene, ethylbenzene, and xylene (BTEX) into inorganic substances by microorganisms may affect the water–rock interaction. However, few studies have quantitatively analyzed the processes. To quantitatively reveal...

(This article belongs to the Special Issue The Mobilization, Speciation and Transformation of Organic and Inorganic Contaminants in Soil-Groundwater Ecosystems)
  • Article
  • Open Access
5,019 Views
22 Pages

7 October 2025

The Bardo Thodol (bar do thos grol), commonly known in the West as The Tibetan Book of the Dead, has traditionally served as a spiritual manual guiding consciousness through the postmortem bardo (bar do) states toward liberation or rebirth. While pri...

  • Feature Paper
  • Article
  • Open Access
49 Citations
13,549 Views
17 Pages

29 December 2021

Currently, less than 20% of electronic waste (E-waste) produced in the U.S. is recycled. To improve the recycling rate of E-waste, the study aimed to: (1) identify the major plastics found within electronic shredder residue (ESR), (2) design solvents...

(This article belongs to the Section Environmental and Green Processes)
  • Article
  • Open Access
1 Citations
2,190 Views
20 Pages

20 November 2024

The objective of this work was to improve the solubility and discover a stable co-amorphous form of valsartan (VAL), a BCS class-II drug, by utilizing small molecule 2-Aminopyridine (2-AP) in varying molar ratios (2:1, 1:1, and 1:2), employing a solv...

  • Article
  • Open Access
12 Citations
3,847 Views
10 Pages

Description of Si and Al Release from Aluminosilicate in the Acidic Condition Using Density Functional Theory: Protonated Terminal Oxygen

  • Chen-Yang Zhang,
  • Ya-Ling Yu,
  • Huan Yang,
  • Li-Ming Wang,
  • Ming-Feng Zhong,
  • Shao-Min Lin,
  • Zhi-Jie Zhang,
  • Yun-Ying Wu,
  • Yang Liu and
  • Wei Xu

3 November 2022

The molecular clusters ((HO)3Si-O-Si(OH)3 and (HO)3Al-O-Si(OH)3) representative of aluminosilicate mineral surface were employed to study the dissolution of aluminosilicate in acidic condition via density functional theory (DFT) with the M06-2X+G(d,p...

  • Article
  • Open Access
4 Citations
5,397 Views
14 Pages

Changes in Blue Color of Sapphire Compared with Oxidation State Changes

  • Ratthaphon Amphon,
  • Chawalit Chankhantha,
  • Chanisara Srimuang,
  • Suchinda Vongsetskul,
  • Saweat Intarasiri and
  • Andy H. Shen

25 March 2024

Blue sapphire has long been treated with heat to modify its blue color and attain greater value. However, the process of modifying the blue color in sapphire remains not well understood. The color-changing mechanism has traditionally been explained u...

(This article belongs to the Special Issue Gem Deposits: Mineralogical and Gemological Aspects, 2nd Edition)

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