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MOLECULAR DYNAMICS SIMULATIONS OF ANION EXCLUSION …

Molecular dynamics (MD) simulations offer a way out of this conundrum by directly examining the details of anion exclusion in individual clay interlayer nanopores. ... Two specialized forms of the model are widely used. The first, known as the modified Gouy-Chapman (MGC) model, ... The clay mineral structure was also assumed to be rigid, as in ...

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Metolachlor adsorption using walnut shell biochar modified by soil minerals

Thus, the mineral-modified BCs can be used over a wide range of pH values and ionic strengths. The BC composites modified with clay minerals are nontoxic (Shi et al., 2021). The adsorption experiment conducted to simulated saline-alkali land showed that the mineral-modified BCs were more suitable for the adsorption of MET than OBC (Table S4 and ...

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Modified Halloysite as an Adsorbent for the Removal of …

The adsorption of copper ions and Reactive Red 120 azo dye (RR-120) as models of water pollutants on unmodified halloysite (H-NM), as well as halloysites modified with sulfuric acid (H-SA) and (3-aminopropyl)triethoxysilane (H-APTES), was investigated. The results showed that adsorption of both the adsorbates was pH-dependent and increased with the increase in …

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The Catalytic Potential of Modified Clays: A …

The need for innovative catalysts and catalytic support materials is continually growing due to demanding requirements, stricter environmental demands, and the ongoing development of new chemical processes. Since …

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Modified Mineral xide Aggregate—A Versatile Dental …

Mineral xide Aggregate (MTA) has been a material of revolution in the field of dentistry since its introduction in the 1990s. It is being extensively used for perforation repairs, …

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(PDF) Interfacial adhesion performance between the low …

However, the LDPE modified asphalt binder has frequently encountered the adhesive failures resulting from the adhesion loss at the bitumen-aggregate interface, particularly when subjected to the oxidative ageing conditions. Adhesion is defined as the molecular force of attraction in the area of contact between the adhesive materials and substrates.

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Molecular insight into the initial hydration of tricalcium …

As a result, we hardly observe any proton hops between the surface O t and O w ions, which should be commonly present in mineral/aqueous solution interfaces and …

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Components optimization of polyurethane-modified asphalt …

Molecular dynamics (MD) simulation has become an efficient tool and has attracted attention for its ability to provide better theories for the design of material synthesis [22], [23], [24].Lu et al. [25] employed Materials Studio software to analyze the mechanical properties of PUMA, and the radial distribution function was exploited to analyze the modification effect of …

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Fate of nitrogen in agriculture and environment: agronomic, …

Rapid availability of mineral N in soil solution has been noted as a result of synthetic N fertilizer application [96, 111, 112], but there is a powerful race between crop plants and micro flora for existing mineral N (especially NH 4 +), and cause a large variations over time [77, 78].

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Hydrogen-Bonded Molecular Ribbons as Templates for the …

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New Molecular Design Enhances OLED Efficiency and …

Molecular design concept. (Source: NSR) To tackle these issues, the Shenzhen team proposed an innovative approach: using B–N covalent bonds to extend the molecular structure of MR-TADF emitters. By doing so, they were able to create a more rigid molecular framework, which helps to narrow the emission spectrum and improve performance in OLEDs.

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Use of Organo-Inorganic Binder in the Composition of Mineral …

Experience with mineral wool production indicates that both an organic binder based on a phenol-formaldehyde resin solution and an inorganic binder using liquid glass can be used . They obey a common hardening mechanism, despite the difference in the final results of thermal hardening of both binders [6, 7]. As a result, a low-molecular-mass ...

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Modified Mineral xide Aggregate—A Versatile Dental …

Mineral xide Aggregate (MTA) has been a material of revolution in the field of dentistry since its introduction in the 1990s. It is being extensively used for perforation repairs, apexification, root-end filling, obturation, tooth fracture repair, regenerative procedures, apexogenesis, pulpotomies, and as a pulp-capping material because of its desired features …

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Study on hydroxypropyl methylcellulose modified Portland …

Study on hydroxypropyl methylcellulose modified Portland cement-sulphoaluminate cement composites: Rheology, setting time, mechanical strength, resistance to chloride ingress, early reaction kinetics and microstructure ... Premixed cement mortar is primarily composed of cement, sand, mineral admixtures, and organic additives. Among these ...

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Surface modification at the molecular level in mineral …

Direct information at a molecular level about surface products, their structure and surface distribution is vitally important to perform an efficient separation processes for mineral beneficiation.This information is equally important for the modification of surface properties of industrial minerals for various specific applications such as: fillers, composites, weathering …

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Effects of mineral adsorption on the molecular composition …

The soil DOM solution and minerals were mixed at a mineral concentration of 8 g L −1. The pH values of all DOM-mineral mixtures were adjusted to 6.0 using HCl and NaOH before the experiments. The suspensions were stirred at 150 rpm for 36 h at room temperature (approximately 25 °C) in darkness.

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Comparative study of linearized and non-linearized modified …

In this paper, the Langmuir isotherm, originally derived for the adsorption of asphaltene extracted from shale oil and dissolved in toluene on Kaolin, Smectite, Fluorite and Hematite, was modified to fit the adsorption isotherm. The modified Langmuir isotherm parameters obtained from the four linear equations using the linear method differed. The aim …

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Molecular simulation of the diffusion of uranyl carbonate species …

In summary, although a series of molecular dynamics studies on uranyl carbonate species in aqueous solutions in contact with mineral surfaces has been published by Greathouse and co-workers (Greathouse et al., 2002, Greathouse and Cygan, 2005, Greathouse and Cygan, 2006), this work represents the first detailed characterization of the hydration ...

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Modified Wolin's mineral solution II

Modified Wolin's mineral solution II (from medium 700) Nitrilotriacetic acid 1.500 g MgSO4 x 7 H2O 3.000 g MnSO4 x H2O 0.500 g NaCl 1.000 g FeSO4 x 7 H2O 0.100 g CoSO4 x 7 H2O 0.180 g CaCl2 x 2 H2O 0.100 g ZnSO4 x 7 H2O 0.180 g CuSO4 x 5 H2O 0.010 g AlK(SO4)2 x 12 H2O 0.020 g H3BO3 0.010 g Na2MoO4 x 2 H2O 0.010 g NiCl2 x 6 H2O 0.025 g Na2SeO3 x 5 …

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Titanium-modified MCM-41 molecular sieves as efficient …

Two Ti-modified MCM-41 molecular sieves (Si/Ti molar ratio = 75 and 50) were synthesized as described above, but the titanium(IV) isopropoxide (TTIP, ≥97.0 wt.%, Sigma-Aldrich) was added slowly to the SOL-II (micellar solution) before adding the SOL-I (silica precursor). The crystallization, recovery, washing, drying, crushing, and ...

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Applications of Chemically Modified Clay Minerals …

This review deals with modification of montmorillonite and other clay-minerals and clays by interacting them with organic cations, for producing slow release formulations of herbicides, and efficient removal of pollutants …

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Review Comprehensive review of modified clay minerals for …

The CMs are modified by immersing them in an Al-containing solution and doping them with Al nanoparticles. The Al is doped in the form of AlOOH. Several studies have …

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Molecular Dynamics Simulation of Adsorption of Anionic …

The structure and energetics of poly(c-caprolactone), PCL, chains confined between two platelets of organo-modified montmorillonite clay, are investigated using molecular dynamics techniques.

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Antioxidant Minerals Modified the Association …

Inconsistent findings exist regarding the relationship between heme iron intake and type 2 diabetes (T2D) among Western and Eastern populations. Easterners tend to consume a plant-based diet which is abundant …

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Molecular Dynamics Simulation Study on the Interactions of …

Affiliations 1 College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, China.; 2 School of Science, Xichang University, Xichang 615013, China.; 3 School of Biological and Chemical Engineering, Panzhihua University, Panzhihua 617000, China.; 4 State Key Laboratory of Comprehensive Utilization of …

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Solved: Calculate the empirical or molecular formula mass …

Solutions for Chapter 3 Problem 14E: Calculate the empirical or molecular formula mass and the molar mass of each of the following minerals: (a) limestone, CaCO3 (b) halite, NaCl (c) beryl, Be3Al2Si6O18 (d) malachite, Cu2(OH)2CO3 (e) turquoise, CuAl6(PO4)4(OH)8(H2O)4 … Get solutions Get solutions Get solutions done loading Looking for the textbook?

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Modification of Mineral Surfaces and Microstructures

The adsorption of Acid Blue 80 (AB80) on the chemical modified bentonite from aqueous solutions also can be largely improved by treating the mineral with sulfuric acid . Sakizci et al. investigated the adsorption SO 2 on two different bentonites (BK and BY) treated …

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Mineral Modified Glutamate Medium Base (Double Strength)

Mineral Modified Glutamate Medium (Double Strength) is used for the enumeration of coliform bacteria in water and waste water samples. The store will not work correctly in the case when cookies are disabled. ... Molecular Biology. Plant Tissue Culture. Lab Chemicals and BioChemicals. Lab Consumables & Instruments.

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Modified chemical mineralization-alkali neutralization …

The modified chemical mineralization-alkaline neutralization is a cost-effective technology for the treatment of the acidic iron-rich waters. In practical applications, several …

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Modified Wolin's mineral solution | Solutions | MediaDive

Back to all solutions Modified Wolin's mineral solution . Download this solution as . CSV JSON PDF. Internal Solution-ID: S241 . This solution is used in 168 media and was first defined in medium 141. Compound Amount Unit Conc. [g/L] Conc. [mM] Nitrilotriacetic acid : 1.50 ...

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