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Cite this chapter as: Wang D. (2016) Molecular Design of Reagents for Mineral Processing. In: Flotation Reagents: Applied Surface Chemistry on Minerals Flotation and Energy Resources Beneficiation.
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Molecular Design of Reagents for Mineral Processing. October 2016; DOI: 10.1007/978-981-10-2030-8_10. In book: Flotation Reagents: Applied Surface Chemistry on Minerals Flotation and Energy ...
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2019-6-10 molecular modeling based design of mineral processing reagents –a few illustrative case studies from our work pradip and beena rai tata research development and design centre a division of tata consultancy services ltd. 54b hadapsar industrial estate, pune 411013 india pradip.p@tcs
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Molecular modeling studies involving density functional theory, molecular mechanics, and semi-empirical approaches have been carried out for designing tailor-made reagents for industrial ...
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2003-9-29 Mineral–reagent complex The optimized reagent molecule was then docked on the mineral surface. The initial geometry of surface–reagent complex was created physically on the screen with the help of molecular graphics tools, taking into consideration the possible interactions of reagent functional groups with surface atoms.
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2012-6-5 molecules in flotation shows that the reagents’ selectivity toward certain mineral surfaces is clue-less. It is invariably a process of trial-and-error experimentation to reach an optimized reagent scheme with different types of organic molecules and their modified forms in order to separate valuable minerals from ores by flotation process.
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2002-1-10 Molecular modeling and rational design of flotation reagents. International Journal of Mineral Processing 2003, 72 (1-4) , 95-110. DOI: 10.1016/S0301-7516(03)00090-5. R. Herrera Urbina.
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2013-2-1 Pradip, 1988b, “Testing and evaluation of reagents for mineral flotation,” Minerals Metallurgical Processing, Vol. 5, No. 3, pp. 114–119. Google Scholar Pradip, 1994, “Reagents design and molecular recognition at mineral surfaces,” Reagents for Better Metallurgy , P.S. Mulukutla, Ed., SME-AIME, Denver, CO, Ch. 24, pp. 245–252.
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2021-3-12 Molecular modeling and rational design of flotation reagents. International Journal of Mineral Processing 2003, 72 (1-4) , 95-110. https://doi.org/10.1016/S0301-7516(03)00090-5; R. Herrera Urbina. Recent developments and advances in formulations and applications of chemical reagents
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2020-6-22 Yu, Z., Wang, H., Kong, X. et al. Molecular design for electrolyte solvents enabling energy-dense and long-cycling lithium metal batteries. Nat Energy 5, 526–533 (2020). https://doi.org/10.1038 ...
Read More2019-6-10 molecular modeling based design of mineral processing reagents –a few illustrative case studies from our work pradip and beena rai tata research development and design centre a division of tata consultancy services ltd. 54b hadapsar industrial estate, pune 411013 india pradip.p@tcs
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2012-6-5 68 Molecular Modeling for the Design of Novel Performance Chemicals and Materials 3.2.2 the Born model of solids And the PotentiAl model The Born model of solids assumes that the sum of all pairwise interactions between atoms i and j produce the lattice energy of a crystal. The lattice energy is given by: Ur qq r ij rr ij ij ij ij ij ij ijk ijk ijk () / / =+∑∑ ∑
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2020-7-31 The development of more powerful and selective reagents that will only adsorb on target minerals for effective fine particle flotation will be accomplished by developing a molecular level understanding of reagent-mineral interactions thereby establishing
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2002-1-10 Molecular modeling and rational design of flotation reagents. International Journal of Mineral Processing 2003 , 72 (1-4) , 95-110. DOI: 10.1016/S0301-7516(03)00090-5.
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Molecular simulation of bismuth minerals, including bismuthine, cosalite, povanite and bismutite, was performed. For these minerals, charges of single atomic charges and electron population density of s-, p-, d-orbits were determined. Main physical-chemical and computerized parameters of mineral and reagents clusters were determined.
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2020-6-22 The molecular design concept in this work provides a new direction for electrolyte engineering. ... (60% in mineral oil) and other general reagents were purchased from Sigma-Aldrich or
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We have attempted to correlate these dif- Quantum Chemical Approach ferences observed during flotation tests in terms of mineral– We have used semiempirical MNDO (MOPAC 6.0) (41) cal- reagent interactions as quantified through molecular modeling culations to model the interactions of reagents with mineral sur- computations.
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2017-6-1 Computer design sulphydryl reagents and their derivatives Non-Ferrous Metal Journal. № 7, 11-14. [7] P. Solozhenkin, O. Solozhenkin. 2012, Computer modeling of fatty acids. Non-Ferrous Metallurgy, 17-21. [8] Pradip, B. Rai, et al. 2002. Molecular modelling of interactions of alkyl hydroxamates with calcium minerals. J.
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2021-3-12 The interactions of two diphosphonic acid based surfactants, namely alkylimino-bis-methylene-diphosphonic acid (IMPA-8) and 1-hydroxy-alkylidene-1,1-diphosphonic acid (Flotol-8), with three calcium minerals, fluorite, calcite, and fluorapatite, were quanitfied on the basis of molecular modeling computations. Both force field (UFF) and semiempirical quantum mechanical (MNDO)
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2021-3-1 This function provides a new idea for the design and development of new flotation agents. Key words: metal ion; coordination compound; coordinate assembly; activation theory; flotation reagents 附件【 2020-金属离子配位调控分子组装浮选理论及其研究进展_孙文娟.pdf 】 已下载 次
Read MoreWe have attempted to correlate these dif- Quantum Chemical Approach ferences observed during flotation tests in terms of mineral– We have used semiempirical MNDO (MOPAC 6.0) (41) cal- reagent interactions as quantified through molecular modeling culations to model the interactions of reagents with mineral sur- computations.
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2019-12-1 Therefore, fundamental knowledge of chemical reagents, the development of their new types, using them for different conditions, and minerals and surface chemistry studies in the presence of various reagents are typical and essential investigations in mineral processing. Assoc. Prof. Dr. Saeed Chehreh Chelgani Guest Editor
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2020-11-25 International Journal of Mineral Processing, Vol.72 No.1-4, 2003. Y. Hu, Z. Xu, Interactions of amphoteric amino phosphoric acids with calcium-containing minerals and selective flotation. International Journal of Mineral Processing, Vol.72 No.1-4, 2003. Pradip, B. Rai, Molecular modeling and rational design of flotation reagents.
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However, the tailing mineral is complex and difficult to collect, which brought out accumulation of tailing mineral and water polluted. We try to modify the fluorite collector by use of computer-aided design drawing software and molecular mechanics curve between reagents and useful components in mineral and screen the best reagent.
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2018-5-18 Yahui Zhang: Molecular design of flotation reagents, solvent extractants and resins, mineral processing, hydrometallurgy, and chemistry of materials. Yan Zhang: Process systems, green engineering, mineral processing, energy
Read More2021-3-1 This function provides a new idea for the design and development of new flotation agents. Key words: metal ion; coordination compound; coordinate assembly; activation theory; flotation reagents 附件【 2020-金属离子配位调控分子组装浮选理论及其研究进展_孙文娟.pdf 】 已下载 次
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2019-2-1 This narrow molecular weight distribution provides another opportunity for molecular design of these products. Molecular simulation is an ideal tool to estimate properties of tailored molecules (31–35) using high-performance computing. In turn, this can enable inverse engineering so molecules with specific properties can be designed on the ...
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2011-6-1 Mining chemicals represent a niche area of supply but at the same time their use is almost universal across the industry. In this month’s im-mining Spotlight Feature Article, from the June issue of International Mining magazine, Editor Paul Moore looks at
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2021-5-7 Temperature Cycling:. 92 - 94 o C for 30 - 60 sec (denature); 37 - 72 o C for 30 - 60 sec (anneal); 72 o C for 30 - 60 sec (elongate) (60 sec per kb target sequence length); 25 - 35 cycles only (otherwise enzyme decay causes artifacts) 72 o C for 5 min at end to allow complete elongation of all product DNA; NOTE: "Quickie" PCR is quite feasible: eg, [94 o C 30 sec / 45 o C 30 sec / 72 o C 30 ...
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