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Wyświetlanie 1-15 z 20
Tytuł:
Investigation on different behavior and mechanism of Ca(II) and Fe(III) adsorption on spodumene surface
Autorzy:
Yu, F.
Wang, Y.
Wang, J.
Xie, Z.
Powiązania:
https://bibliotekanauki.pl/articles/110230.pdf
Data publikacji:
2014
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
spodumene surface
calcium ions
iron ions
adsorption mechanism
DFT calculation
Opis:
Behavior and mechanism of Ca2+ and Fe3+ adsorption on spodumene surface were investigated by micro flotation tests, zeta potential measurements, and density functional theory (DFT) calculation methods. The micro flotation tests showed that Ca2+ and Fe3+ activated the flotation of spodumene remarkably. However, the effect of Fe3+ was more significant than that of Ca2+. Additionally, Fe3+ significantly changed the zeta potential of spodumene while Ca2+ showed a little change. Meanwhile, the calculated adsorption energy of Fe3+ on spodumene surface was much greater than that of Ca2+ indicating that Fe3+ is more apt to be adsorbed on spodumene surface than Ca2+. The value of bond population in Ca-O illustrated that the bond of Ca-O consists of partial covalent proportion and some ionic component. On the contrary, the bond of Fe-O showed a relatively strong covalent property. The partial density of states (PDOS) of free Ca/Fe and the reacted O atom on spodumene (110) surface before and after the adsorption showed that Fe 3d orbital and O 2p orbital formed hybridization. The density of states (DOS) near the Fermi level of spodumene surface after adsorption with Fe3+ was much stronger than that with Ca2+.
Źródło:
Physicochemical Problems of Mineral Processing; 2014, 50, 2; 535-550
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Research on quantifying the hydrophilicity of leached coals by FTIR spectroscopy
Autorzy:
Wang, J.
He, Y.
Yang, Y.
Xie, W.
Ling, X.
Powiązania:
https://bibliotekanauki.pl/articles/110191.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
chemical-structural properties
macerals
hydrophilicity
functional group
Opis:
Surface properties play important roles in characterization of structural parameters and the hydrophilicity index. Accurate analysis of the macerals rather than the average properties of the macerals and minerals are crucial for these parameters and indexes. In order to improve the accuracy of analyzing coal surface property, HF/HCl acid leaching was applied to eliminate the interference of minerals. FTIR was used to characterize the differences in surface chemical composition between raw and processed coal. Moreover, each functional group was analyzed quantitatively. Based on these quantitative data, the structural parameters and hydrophilicity indexes were calculated. From the results of FTIR, the peaks of mineral cover up the types of the organic peaks, such as -COOH and aromatic CH stretching. In addition, they decrease the intensity of the peak such as C=C and aromatics CHx out-of-plane deformation in the spectra of raw coals. However, it provided the accurate types and contents of organic functional groups of the macerals after acid leaching. The structural parameter results indicate that the values cannot reflect the coal ranks through the surface properties of raw coals while they show a good relationship with the degree of coalification in the analysis of processed coals. Besides, the hydrophilicity indexes are verified by the natural floatability of coal macerals of the processed coals. It is also found that the processed lignite coal cannot be floated despite elimination of the hydrophilic minerals. The main reason of hard-to-float property of lignite coal lies in a strong hydrophilicity of macerals.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 1; 227-239
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Flotation separation of cervantite from quartz
Autorzy:
Wang, J.
Hua, Y.
Yu, S.
Xiao, J.
Xu, L.
Wang, Z.
Powiązania:
https://bibliotekanauki.pl/articles/110941.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
cervantite
quartz
dodecylamine
flotation
density functional theory
Opis:
Flotation separation of cervantite (Sb2O4) from quartz was investigated using dodecylamine (DDA) as a collector. Experiments were conducted on single minerals and on a synthetic mixture of quartz and cervantite. Flotation separation mechanisms were investigated using the zeta potential technique, solution chemistry principles, density functional calculations and Fourier Transform Infrared (FT-IR) spectroscopy. The results indicated that DDA, primarily in the form of molecules, exhibited excellent performance in flotation of cervantite and quartz at pH 10.5. The adsorption energy of the DDA molecules on the cervantite surface was greater than the adsorption energy of water molecules, while the adsorption energy of DDA on the quartz surface was less than the adsorption energy of water molecules. DDA molecules can be adsorbed on the quartz surface to a certain extent, but it was difficult for the same molecule to be adsorbed on the cervantite surface in the pulp. This resulted in flotation of quartz. DDA molecules were adsorbed on quartz not only through physical adsorption but also by hydrogen bonding. However, cervantite could not be floated at pH 10.5 since adsorption of DDA molecules occurred through weak physical bonds on cervantite.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 1119-1132
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Adsorption behavior of surfactants on lignite particles with different densities in aqueous medium
Autorzy:
Wang, J.
He, Y.
Wen, B.
Ling, X.
Xie, W.
Wang, S.
Powiązania:
https://bibliotekanauki.pl/articles/110538.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
interfacial surface free energy
adsorption
lignite
surfactant
Washburn equation
Opis:
Lignite is well known for its strong hydrophilicity and hard-to-float properties. However, the surface free energy of the solid is made up of two components, that is the Lifshitz-van der Waals and acid-base interaction energy. Differences in these two components between the low ash (lower density) and high ash fraction (higher density) provide a benefit for improving the separation efficiency through introducing surfactants in flotation. In this paper, thermodynamic characterization of three density lignite fractions was measured by a Washburn dynamic method. Combining the Washburn equation and Van Oss-Chaudhury-Good theory, the surface free energy components of three samples were calculated according to the wetting process by n-hexane, diiodomethane, deionized water and ethylene glycol. The Lifshitz-van der Waals part of surface free energy reduced with the coal density increase, especially between fractions of -1.45 g/cm3 and 1.45-1.80 g/cm3, while the Lewis base part increased slightly. The interfacial interaction free energies between the surfactant and lignite in aqueous medium indicated that the low hydrophilic index benefited for the stronger adsorption intensity. Increase of the surfactant Lifshitz-van der Waals component increases the adsorptive intensity on lower density lignite and the repulsive intensity on higher density lignite, which is beneficial for separation.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 996-1008
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study of flotation behavior and mechanism of cervantite activation by copper ions
Autorzy:
Wang, J.
Wang, Y.
Fu, K.
Xu, L.
Wang, Z.
Sun, H.
Xiao, J.
Powiązania:
https://bibliotekanauki.pl/articles/110228.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
flotation
cervantite
copper ions
activation mechanism
Opis:
Copper-ion activation plays a highly important role in cervantite (Sb2O4) flotation. Without metal-ion activation, cervantite cannot be floated by sodium oleate. In this study, flotation tests were conducted to study the effect of Cu2+ on the flotation behaviours of cervantite and quartz (SiO2) as the main gangue mineral. Metal-ion adsorption capacities, zeta potentials, solution chemistry and X-ray photoelectron spectra were analyzed to study the adsorption behavior and mechanism of copper ions and sodium oleate interaction with the minerals surfaces. The results demonstrate that under weakly acidic conditions, cervantite can be flotated and separated from quartz by the addition of copper ions. The reason is that copper ions can be selectively adsorbed on the cervantite surface under weakly acidic conditions, thereby promoting the adsorption of sodium oleate onto the cervantite surface by chemical adsorption. Conversely, copper ions are weakly adsorbed on quartz surfaces below pH 6.1, and sodium oleate cannot be adsorbed on quartz surfaces by chemical adsorption. The hydroxy copper species are integral to the selective activation of cervantite over quartz.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 3; 814-825
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Kinetic research of quinoline, pyridine and phenol adsorption on modified coking coal
Autorzy:
Sun, X.
Xu, H.
Wang, J.
Ning, K.
Huang, G.
Yu, Y.
Ma, L.
Powiązania:
https://bibliotekanauki.pl/articles/110365.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
adsorption kinetics
modification
coking coal
coking wastewater
Opis:
Adsorption is widely used in wastewater treatment. In this work, the removal of quinoline, pyridine and phenol from coking wastewater by using modified coking coal, which was treated by four different modification methods i.e. acidification sodium hydroxide (5 mol/dm3), hydrochloric acid (5 mol/dm3) and acetic acid (5 mol/dm3) and low-temperature (105 oC) oxidation, was investigated. The modified coal was characterized by the surface area analysis, SEM, total acidity and basicity and FT-IR. The results showed that the surface area from high to low follows the order: modification with acetic acid, modification with hydrochloric acid, raw coal, modification with sodium hydroxide and modification with low-temperature. Experimental data were fitted to pseudo-first-order, pseudo-second-order and intra-particle diffusion. The adsorption of all followed pseudo-second-order kinetics. The result showed that the removal efficiency of coal modified by hydrochloric acid and acetic acid are higher than raw coal, while modified by sodium hydroxide and low-temperature are lower than raw coal., The coal modified by hydroxide acid had the best adsorption capacity.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 3; 965-974
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Dodecyl amine adsorption at different interfaces during bubble attachment/detachment at a silica surface
Autorzy:
Wang, X.
Miller, J. D.
Powiązania:
https://bibliotekanauki.pl/articles/110684.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
VSFS
air bubble attachment
amine adsorption density
Opis:
The reverse flotation of quartz and other gangue silicate minerals with alkyl amines is an important and well known strategy for the processing of iron ore, low grade bauxite ore, and phosphate rock. Some details of amine adsorption by quartz have been described in the literature, but little is known about the disposition of amine during bubble attachment. Now, a new experimental procedure involving vibrational sum frequency spectroscopy (VSFS) has been developed to provide, for the first time, a more detailed analysis of the state of dodecyl amine (DDA) adsorption at different interfaces during bubble attachment/detachment at a silica surface. The results show that the hydrophobic surface state at the silica surface is created by the transfer of a well-organized monolayer of DDA from the bubble surface to the silica surface during bubble contact and attachment.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 1; 81-88
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Role of dissolved mineral species in quartz flotation and siderite solubility simulation
Autorzy:
Luo, X.
Wang, Y.
Ma, M.
Song, S.
Zhang, Y.
Deng, J.
Liu, J.
Powiązania:
https://bibliotekanauki.pl/articles/109459.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
quartz
solubility
siderite
calcium ion
temperature
flotation
Opis:
Quartz is, in most cases, the major gangue mineral found in the iron ores. Although it can be activated by calcium at strong alkaline pH, quartz nevertheless, reports to the concentrate with Fe when the iron ores contain siderite. It causes a poor concentrate grade and separation between quartz and iron minerals. The effect of siderite on reverse anionic flotation of quartz from hematite was studied in our previous investigations. In this work, the effect of siderite dissolution on the quartz recovery in the froth product and the effect of pH, ions and temperature on siderite dissolution were investigated. Microflotation, PHREEQC simulation, solution chemistry calculation and Fourier transform infrared spectroscopy (FTIR) measurements were conducted. It was observed that the dissolved species of siderite exhibited negative impact on quartz flotation. This influence became weak to some extent by either stripping the dissolved species or shortening dissolution time. Siderite was easily dissolved in the presence of calcium ion under strong alkaline conditions and its solubility increased with increasing the calcium ion concentrate and temperature. When the calcium ion was added as an activator of quartz under strong alkaline conditions (pH>9.96), calcium existed mainly in the CaCO3 precipitation form according to the solubility rule in the presence of siderite. This form could adsorb onto quartz surfaces and further the chemical reaction between starch and quartz was monitored by FTIR measurements. This study provides a further supplement for previous study. A potential strategy is suggested that finding a collector used at low temperature or flotation under neutral (or weak alkaline) medium is helpful to the reverse flotation of iron ores containing siderite.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 1241-1254
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Selective agglomeration of magnetite in entlandite-serpentine system and implication for their separation
Autorzy:
Lu, J.
Yuan, Z.
Liu, J.
Li, L.
Wang, N.
Meng, Q.
Powiązania:
https://bibliotekanauki.pl/articles/110411.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
serpentine
pentlandite
magnetite
selective magnetic agglomeration
magnetic separation
Opis:
In nickel sulfide processing, magnesium silicates (serpentines) can easily form slime coatings or hetero-aggregation on pentlandite surfaces, and hence decrease the pentlandite flotation rate and recovery. In this work, magnetic separation of pentlandite from serpentine using selective magnetic coating through adding magnetite fines as magnetic seeds was investigated. Interactions of magnetite-pentlandite and magnetite-serpentine were calculated by the DLVO (Derjaguin-Landau-Verwey-Overbeek) theory. The results show that the interaction of magnetite-pentlandite was obviously stronger than that of magnetite-serpentine with an external weak magnetic field (4776 A/m-1). Therefore, fine magnetite fractions selectively adhered to the pentlandite surfaces and enhanced its magnetism, resulting in being separated from serpentine by magnetic separation, which was further verified by magnetic coating-magnetic separation and SEM observations.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 943-955
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigation of leaching kinetics of cerussite in sodium hydroxide solutions
Autorzy:
Feng, Q.
Wen, S.
Wang, Y.
Zhao, W.
Deng, J.
Powiązania:
https://bibliotekanauki.pl/articles/110621.pdf
Data publikacji:
2015
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
cerussite
sodium hydroxide
leaching
kinetics
activation energy
Opis:
The leaching kinetics of cerussite in alkaline medium was investigated with respect to experimental variables such as sodium hydroxide concentration, temperature, particle size and stirring speed. The results showed that leaching reagent concentration and reaction temperature exerted significant effects on the extraction of lead, whereas particle size and stirring speed exhibited a relatively moderate effect on the leaching rate. The leaching process followed the kinetic law of the shrinking core model, and the dissolution rates were controlled by the surface chemical reaction with an apparent activation energy value of 43.79 kJ/mol. A corresponding dissolution kinetic equation was also proposed to describe the dissolution reaction. The results indicated that sodium hydroxide could be used as an effective leaching reagent for extracting lead from cerussite.
Źródło:
Physicochemical Problems of Mineral Processing; 2015, 51, 2; 491-500
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Flotation behaviour and surface characteristic of anosovite in a sodium oleate solution
Autorzy:
Wang, Y.
Wen, S.
Zhang, J.
Wu, D.
Xian, Y.
Shen, H.
Powiązania:
https://bibliotekanauki.pl/articles/110766.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
anosovite
sodium oleate
flotation
adsorption
Opis:
Properties of anosovite in titanium slag, anosovite flotation response in a collector solution of sodium oleate, and adsorption behaviour of sodium oleate on the mineral surface were studied in the present work using XRD, Raman spectra, flotation tests, zeta potential analysis, FTIR and XPS. The results show that the anosovite crystal contains magnesium, and its chemical composition is Mg0.09Ti2.91O5. The chemical bonds on the anosovite surface mainly comprise Ti-O bonds. Micro-flotation tests indicate that anosovite has better floatability at a wide pH range and the recovery reaches 88% at pH=6, when the dosage of sodium oleate is only 4·10−6 mol/dm3. The point of zero charge of anosovite was determined near pH 3.2 by the zeta potential measurement. In the flotation process, chemical adsorption occurs between the carboxyl of sodium oleate and the titanium sites on the anosovite surface.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 714-723
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Dispersive effect of low molecular weight sodium polyacrylate on pyrite-serpentine flotation system
Autorzy:
Zhao, K.
Yan, W.
Wang, X.
Gu, G.
Deng, J.
Zhou, X.
Hui, B.
Powiązania:
https://bibliotekanauki.pl/articles/110158.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
dispersant
serpentine
flotation
surface potential
dispersion mechanism
Opis:
In this work, the dispersive effect of low molecular weight sodium polyacrylate (PAAS) on serpentine, and its dispersion mechanism were systematically investigated through zeta potential measurements, micro and batch flotation as well as adsorption tests. At pH 5, where flotation of iron sulphide was routinely performed, pyrite and serpentine minerals were oppositely charged, and therefore they were attracted to each other. Slime coatings of serpentine adhered to the surface of pyrite, decreasing the adsorption density of a collector on the pyrite surface, but also reducing the flotation recovery. PAAS increased the flotation recovery of pyrite by promoting dispersion between pyrite and serpentine. The effective flotation separation of pyrite from the refractory iron sulphide ore was possible by using PAAS as a dispersant. Anionic PAAS adjusted the surface potential of serpentine through adsorption on the serpentine surface and changed the interaction between pyrite and serpentine particles from attractive to repulsive, and then dispersed pyrite and serpentine.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 1200-1213
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Copper adsorption reaction rate and ion exchange ratio during the copper activation of sphalerite
Autorzy:
Liu, J.
Luo, D.
Huang, L.
Wang, Y.
Wen, S.
Powiązania:
https://bibliotekanauki.pl/articles/110651.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
sphalerite
copper activation
solution chemistry
ion exchange ratio
reaction rate
Opis:
A theoretical analysis method of the solution chemistry characteristic of Cu(II) at various pH values was developed. Using such method, the existence form of Cu species and their proportions in aqueous solution can be clearly determined. After that, the copper adsorption and ion exchange ratio (E) during the copper activation of sphalerite were investigated. The results indicated that the copper activation of sphalerite can be divided into two stages, i.e., the fast activation stage (t ≤4 min) and slow activation stage (t >4 min). The general form of the copper adsorption rate was determined as ΓCu=K1ln(t) +Γ1, which is confirmed by the data fitting of the fast activation stage. The lower activation pH results in higher ion exchange efficiency for Cu substituting Zn. For a strong acid pH of 4.1, the E maintains about 1:1 in the entire activation time range and is not dependent on the activation time. However, the value of E is greater than 1 under weak acidic (pH=6.2) and alkaline (pH=9.1) pH conditions and it significantly depends on the activation time. For such conditions, E decreases with increase in the activation time, which supports the ion exchange mechanism, but within short activation time, it is not a 1:1 ion exchange process.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 2; 377-385
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Evaluation of sodium petroleum sulfonates with different molecular weights for flotation of kyanite ore
Autorzy:
Chen, B. Z.
Gao, H.
Li, Y.
Jin, J.
Ren, Z.
Wang, W.
Powiązania:
https://bibliotekanauki.pl/articles/109492.pdf
Data publikacji:
2017
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
evaluation
sodium petroleum sulfonate
kyanite
flotation kinetics
entrainment
Opis:
The flotation performance of sodium petroleum sulfonates with different molecular weights was evaluated for flotation of a kyanite ore, by investigating valuable mineral recovery-grade, flotation kinetics and gangue entrainment. The results indicated that the higher molecular weight of agent, the higher final cumulative kyanite recovery was, with the maximum value of 72% being obtained with KY-3 with the molecular weight of 438. The final cumulative kyanite grade initially increased, and then decreased with the molecular weight increasing. In other words, the maximum final cumulative kyanite grade (i.e. 89.05%) was obtained with KY-2 with the molecular weight of 392. The kyanite flotation kinetics followed the first order kinetics well, while the modified flotation rate constant showed a decreasing trend after the initial increase as the molecular weight increased. In addition, the overall entrainment degree decreased with decreasing molecular weight of sodium petroleum sulfonates. The use of KY-2 in kyanite flotation was an attractive option in comparison with KY-1 and KY-3.
Źródło:
Physicochemical Problems of Mineral Processing; 2017, 53, 2; 956-968
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Water film structure during rupture as revealed by MDS image analysis
Autorzy:
Truong, N. T.
Dang, L. X.
Lin, C.-L.
Wang, X.
Miller, J. D.
Powiązania:
https://bibliotekanauki.pl/articles/110251.pdf
Data publikacji:
2018
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
image processing
molecular dynamics simulation
film stability
molecular porosity
Opis:
The structure of thin water films during the rupture process was investigated by a new approach, which combines molecular dynamics simulation (MDS) with image processing analysis. The analysis procedure was developed to convert MDS trajectories to readable 3D images. The water films were studied at different thicknesses by MDS to determine the critical thickness at which the film ruptures. The potential energy of each specific film thickness during the simulation time was analyzed, and the results showed that the potential energy of stable films remained unchanged while the potential energy kept decreasing for films which ruptured during the simulation time. By applying the new procedure, the molecular porosity, which is defined as the void fraction between the volume of molecular pores in the water film and the total volume of the water film, was calculated. The results of molecular porosity for different film thicknesses during the simulation time suggested a critical molecular porosity as 49%. In other words, stable films have a molecular porosity of less than 49%. If a water film has a molecular porosity greater than 49%, rupture occurs during the simulation.
Źródło:
Physicochemical Problems of Mineral Processing; 2018, 54, 4; 1060-1069
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
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