A fundamental understanding of the interactions between mineral surfaces and amphiphilic surface modification agents is needed for better control over the production and uses of …
DetailsZeolites, microporous aluminosilicate minerals, have high affinity to ammonium in water. This study explored the mechanisms of ammonium adsorption onto natural zeolite and NaCl-modified counterpart under different ammonium levels (10–4000 mg-N/L) and initial pH 3.4–11.1.Ion exchange dominated the ammonium adsorption …
DetailsClay minerals can retain metal ions, concentrate rare earth elements and be exploited for industrial waste disposal. This Review discusses the molecular-level mechanisms of …
DetailsThe molecular chain of chitosan was rigid or semi-rigid. In the solution, the molecular chain has a rod-like or nearly rod-like conformation. The molecular chain has polar groups such as hydrogen bonds, and also has optical activity, such as containing asymmetric carbon atoms. The molecule had greater anisotropy.
DetailsThe modifier could interact with mineral surface in different ways: It could change potential of mineral in solution, be adsorbed on mineral surface, form complexes with collector in solution or on mineral surface, remove the adsorbed collector from mineral or modify surface charge, etc. Pyrite and chalcopyrite in MBS solution show …
DetailsThe surface modified nanoparticles (NPs) have offered hope to forthcoming EOR method. ... Surface wettability of basal surfaces of clay minerals: insights from molecular dynamics simulation. Energy Fuels, 30 (1) (2016), pp. 149-160. View in Scopus ... Mechanism of oil detachment from a silica surface in aqueous surfactant solutions: …
DetailsSection snippets Force field. The Materials Studio software package including Discover and Amorphous modules is employed for the MD simulations. The total potential energy is based on the COMPASS force field, which is the first ab initio force field that has been parameterized and validated. The function form of the potential energy is …
DetailsThe modified chemical mineralization-alkaline neutralization is a cost-effective technology for the treatment of the acidic iron-rich waters.
Detailswhere q (mg g-1) is the amount of trichlorphon adsorbed per unit mass, q m (mg g-1) is the maximum amount of trichlorphon that can be adsorbed, K L (L mg-1) is the affinity constant of the adsorption between trichlorphon and phyllosilicate minerals, and C (mg L-1) is the equilibrium concentration of trichlorphon (Vermeer et al., 1998).The …
DetailsThe engineering of crops promises a long-term sustainable solution and avoids some of the infrastructure problems that hamper the use of supplements and processing techniques (9, 10). Using breeding or molecular approaches to develop crops with higher nutrient concentrations is termed biofortification .
DetailsSolutions of Molecular Substances in Liquids. The London dispersion forces, dipole–dipole interactions, and hydrogen bonds that hold molecules to other molecules are generally weak. Even so, energy is required to disrupt these interactions. As described in Section 13.1, unless some of that energy is recovered in the formation of new ...
DetailsContext Asphalt, a polymer mixture composed of various hydrocarbons, is extensively utilized due to its excellent performance. To evaluate the sensitivity of asphalt concrete to chloride salt damage at the nanoscale, considering the anisotropy of aggregate mineral crystal orientation, molecular dynamic simulations were employed to model the …
DetailsThree kinds of typical insulating oil including mineral oil (MO), natural ester (NE), and mixed insulating oil used in transformers are reviewed. The basic physicochemical, electrical properties and engineering application of the oil were firstly introduced. Then, the nano-modified mechanism for MO and NE is explored.
DetailsPortland cement (PC) is ubiquitously used in construction for centuries, yet the elucidation of its early-age hydration remains a challenge. Understanding the initial hydration progress of ...
DetailsThe chemical modification of clay and other aluminium-bearing minerals leads to formation of ... P. N. M. et al. Adsorption of zinc from aqueous solutions using modified Brazilian gray clay ...
Details2.2. Zeta potential measurements. Zeta potential measurements were performed using a Malvern Zetasizer Nano instrument (Malvern Panalytical). Aqueous dispersions of each mineral oxide (0.1 wt%) were prepared in 10 mM KNO 3.Minimal volumes of dilute HNO 3 and KOH were used for pH adjustment. The particle …
DetailsTailor-made amphiphilic molecular design and nanosized hybrid architecture provide opportunities for the self-assembly of POSS-based hybrid materials with unique hierarchical morphologies in selective solvents. ... self-assembly behavior in solutions and potential biomedical applications with main concerns on drug delivery, …
DetailsDear Colleagues, With the dramatic supercomputing hardware and software progress over the last 10–20 years, the geochemical research community is becoming more and more interested in the application of computational molecular modeling techniques for the studies of minerals and mineral-solution interfaces in order to solve a wide variety …
DetailsThe possibility of monitoring surface phenomena at molecular and atomic levels at the interfaces of natural minerals contacted with aqueous solution is vitally important for the …
DetailsThe adsorption capacity of the clay minerals generally depends on factors like (i) the nature of the clay mineral and the adsorbates, (ii) the presence of competing molecules or ions, (iii) the solution pH, and (iv) the temperature [6]. 1.2. Montmorillonite and modified montmorillonite1.2.1. Montmorillonite
DetailsSemantic Scholar extracted view of "Polymer modified clay minerals: A review" by Peng Liu. Skip to search form Skip to ... from intelligent combination of two dissimilar components, viz. clays and organic molecules, at the nanometric and molecular ... Adsorption of polyethyleneimine from aqueous solutions on bentonite clays. N. Öztekin …
Details@article{osti_1635622, title = {The effect of residual water content on preferential adsorption in carbon dioxide – methane – illite clay minerals: A molecular simulation study}, author = {Chong, Leebyn and Myshakin, Evgeniy M.}, abstractNote = {In this work, a combination of Monte Carlo and molecular dynamics simulations was …
DetailsMineral composition has been tackled by considering the montmorillonite and nontronite minerals; pH effect was studied with dGMP 2− and dG + MP − nucleotides at pH = 7 and pH = 3, respectively; and mono−/di-valent cations effects were investigated by adding 0.05 M CaCl 2 salt to the initial 0.5 M NaCl solution.
DetailsChrysotile is also a 1:1 layered silicate mineral, which is composed of Mg 6 [Si 4 O 10](OH) 8 layers formed by the combination of Si–O tetrahedron and Mg-OH octahedron 43, as shown in Fig. 2c ...
Details1. Introduction. Pyrite (FeS 2), the most ubiquitous sulfide mineral in the Earth's crust, has currently received intensive attention for environmental applications [1], [2], [3].Fe(II) in pyrite possesses strong reducing capacity, which endows Fe(II) with powerful catalytic ability for reactive oxygen species (ROS, i.e., H 2 O 2, ·OH) generation through the …
DetailsClay minerals are promising adsorbents for PFAS removal from contaminated water, thus it is crucial to understand the interactions between PFAS and clay minerals. This paper performed molecular dynamics simulations to reveal the complex behaviors and fundamental mechanisms of the adsorption of perfluoroalkyl sulfonic …
DetailsThe interactions between modified calcite surfaces and liquids (Milli-Q water, saturated aqueous octanoic acid solution) were measured using an optical CA device (OCA40, …
Detailstype of molecular sieve photocatalyst was successfully prepared by introducing Bi and La elements into the hydrothermal synthesis of SAPO-34 molecular sieve for the purpose of regulating the molecular sieve backbone. The introduction of active metals into the skeleton of molecular sieve can enrich the Lewis acids acid sites on its …
DetailsModification of the surfaces of montmorillonite (Mnt) by organic molecules is an effective method for improving their affinity toward non-aqueous substances, and has resulted in …
DetailsThe diffuse-ion swarm near smectite particles suspended in 1: 1 electrolyte solutions: Modified Gouy-Chapman theory and quasicrystal formation. In Clay-Water Interface and its Rheological Implications. Güven, N., and Pollastro, R.M., eds. Boulder: The Clay Minerals Society, 128 – 155.Google Scholar
DetailsModifying the structure properties, such as basal spacing, pore size distribution. This chapter focuses on the representative modification methods for mineral surface and …
DetailsIn order to understand the microscopic properties of alkylammonium-intercalated vermiculites, molecular dynamics simulations employing the clayff-CVFF force field were performed to obtain the interlayer structures and dynamics. The layering behavior of alkyl chains was uncovered. With the model used in the present study (1.2 e per unit …
DetailsThe interfacial interaction between asphalt binder and mineral aggregate makes different components have different diffusion behavior. It influences the performance of interface and consequently that of the mix. In this research, the models of four asphalt components (asphaltene, resin, aromatics and saturate) and five minerals were …
DetailsThe research conducted by Owabor et al. also indicates that sodium hydroxide modified clay showed relatively good adsorption performance on the removal of naphthalene from the bulk solution, while ammonium hydroxide modified clay showed a slow rate of adsorption of naphthalene from the bulk solution. Corrosion of minerals in …
DetailsMolecular simulation is a practical method of obtaining structural and dynamical information about clay minerals and their aqueous interfaces, especially given the difficulty in characterizing the atomic dispositions and crystal structures using experimental methods.
DetailsLong, Zhengwu, etc. used molecular dynamics simulation to study the interface adhesion characteristics of nano-silica modified asphalt mixtures, and the results showed that the presence of nano-silica reduces the sensitivity of asphalt mixtures to water damage or sodium chloride solution erosion [25]. Molecular dynamics simulation can ...
DetailsSurface charges and hydration are predominant properties of colloidal particles that govern colloidal stability in aqueous suspensions. These properties usually coexist and interact with each other. The correlation between the surface charge and hydration of minerals is summarized on the basis of innovative experimental, …
Details2.2. Preparation of CFM probes. Because the surface of SiO 2 is naturally hydrophilic with a contact angle of 0°, it can be used directly as a hydrophilic mineral surface after treatment with plasma, washing with ethanol and ultrapure water, and drying in an oven. Before CFM measurements, the probes were treated in plasma for 10 min and …
DetailsDramatic changes in molecular structure, degradation pathway, and porosity of biochar are observed at pyrolysis temperatures ranging from 250 to 550 °C when bamboo biomass is pretreated by iron-sulfate-clay slurries (iron–clay biochar), as compared to untreated bamboo biochar. Electron microscopy analysis of the biochar reveals the …
DetailsPE series jaw crusher is usually used as primary crusher in quarry production lines, mineral ore crushing plants and powder making plants.
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