As evidenced from recent literature,interest in employing information theory measures for understanding different properties of atomic and molecular systems is increasing tremendously.Following our earlier efforts in ...As evidenced from recent literature,interest in employing information theory measures for understanding different properties of atomic and molecular systems is increasing tremendously.Following our earlier efforts in this field,we here evaluate the feasibility of using information theory functionals such as Fisher information,Shannon entropy,Onicescu information energy,and Ghosh-Berkowitz-Parr entropy as measures of steric effects for the steric analysis of water nanoclusters.Taking the structural isomers of water hexamers as working models and using information theoretic quantities,we show that the relative energies of water nanoclusters and the computed steric energies are related.We also show the strong effects of steric repulsion on conformational stabilities.At the same time,we have also assessed the usefulness of simultaneously considering the different information theoretic quantities,and achieved more accurate descriptions of the stability of water nanoclusters.In order to consider the effects of cluster size on the obtained results and the extent of applicability of information theoretic quantities,we have also benchmarked larger water nanoclusters with 32 and 64 units.Scrutinizing the obtained data from information theory functionals,we found that Fisher information shows the best overall performance.Our findings underline that the information theoretic quantities,especially Fisher information,can be used as quantitative measures of relative energies and consequently the order of stability of nanoclusters,which affirmed the utility of information theory for investigating various physical and chemical problems.展开更多
Acid mine drainage （AMD） is one of the major problems in high sulfur coal mining areas generating acidic water. The acidic mine water generated contain hazardous elements in varying concentrations. The Northeastern ...Acid mine drainage （AMD） is one of the major problems in high sulfur coal mining areas generating acidic water. The acidic mine water generated contain hazardous elements in varying concentrations. The Northeastern Indian coalfield produces considerable amounts of AMD. The AMD and metal leaching from coal and mine over burden （OB） are the two important naturally occurring processes. In order to know the AMD potential, the aqueous leaching experiment of a few coal and OB samples from the Ledo colliery of the Northeastern coalfield, Mergherita （India）, at different time periods （1, 3, 5, and 8 h） and at different temperatures （25, 45, 65, and 90℃） were performed in the laboratory. The physico- chemical analysis of the aqueous leachates shows the pH, electrical conductivity （EC）, and total dissolved solid （TDS） in the range of 1.62-3.52, 106-2006 μs/cm, and 106-1003 ppm for the raw coal samples respectively. The OB samples produced pH, EC, and TDS in the range of 3.68-6.92, 48.6-480 μs/cm, and 69.5-240 ppm respectively. From the study, it was revealed that the concentrations of major （Si, A1, K, Na, Fe, Ca, Mg）, minor （Mn） and trace/hazardous elements （As, Ba, Cd, Co, Cr, Cu, Hg, Ni, Pb, Se, Zn） considerably change with leaching time as well as with leaching temperature. Out of these elements As, Cd, Hg, Pb, Cr, and Se are of greater environmental importance. Alteration of the physico-chemical structure of the coal and OB samples resulting from leaching was also studied by field emission scanning electron microscope- energy-dispersive X-ray spectroscopy method. The release of the potentially hazardous elements from the raw coal and OB during leaching time periods to the leachates was detected by inductively coupled plasma-atomic emission spectroscopy and ion-chromatographic analyses. The major minerals found in coal and OB are quartz （SiO2）, pyrite （FeS2）, hematite, marcasite, and kaolinite. The association of different functional groups in minerals and their mode of association were studied by Fourier-transform infrared spectroscopy and X-ray diffraction analytical techniques. The present laboratory study will be useful in relating the characteristics of aqueous leaching from coal and mine OB with the natural weathering condition at the coal mine area.展开更多
The dromedary camel （Camelus dromedarius） is a significant socioeconomic importance in several arid and semi-arid regions of North Africa and Middle East, and its milk constitutes an important component of human die...The dromedary camel （Camelus dromedarius） is a significant socioeconomic importance in several arid and semi-arid regions of North Africa and Middle East, and its milk constitutes an important component of human diets in these regions. The camel milk plays a vital role in the food of the Algerian nomads in the Sahara. During February and September, 20 samples of the raw camel＇s milk were taken starting from different livestock of camels from three different Sahariennes regions （Bechar, EI-Bayadh and Naama）. These 20 collected samples were analyzed by physico-chemical and microbiological methods. The results of physicochemical analyze obtained from two hot and cold seasons are respectively the following： T ~C （35.83 and 33.95）, pH （6.36 and 6.49）, density （1.031 and 1.032）, dornic acidity （18.6 and 18.3 ~D）, dry matter （93.4 and 144.8 g/L）, fat contents （30 and 52.1 g/L）, total protein （26.3 and 33.1 g/L） and ashes （7.46 and 8.66 g/L）. The protein profile obtained by electrophoretic analysis （SDS-PAGE） showed that camel milk contains several types of proteins and some have a molecular weight identical to major proteins of the cow＇s milk. The final results showed that camel milk has generally a comparable composition to that of bovine milk. The microbiological analysis, of these samples, detected a significant number of the total microflora, Staphylococcus aureus and total coliforms. The absence of Clostridium and fecal coliforms was observed. Several species of lactic acid bacteria were detected such as Lactococcus lactis subsp, lactis, Lactococcus lactis subsp, lactis biovar, diacetylactis, Weissella cibaria and Enteroccocusfeacalis.展开更多
In this paper, the AC-excited helium discharges generated between the powered needle electrode enclosed in a conical quartz tube and the grounded de-ionized water electrode are investigated. The current and voltage wa...In this paper, the AC-excited helium discharges generated between the powered needle electrode enclosed in a conical quartz tube and the grounded de-ionized water electrode are investigated. The current and voltage waveforms exhibit a transition from the glow-like to streamer-like mode discharges, which forms a stable cone-shaped structure at the gas-liquid interface. In this region, the air and water vapor diffusion initiate various physical-chemical processes leading to substantial changes of the primary species emission intensities （e.g., OH, N2, NO, and O） and the rotational temperatures. The experimentally measured rotational temperature at the gas-liquid interface is 870 K from the Nz（C-B） band with a power input of 26 W. With the prolongation of the discharge time, significant changes in the discharge voltage and current, discharge emission patterns, instantaneous concentrations of the secondary species （e.g., H202, NO2, and NO3） in the liquid phase, pH values and electrical conductivities of the liquids are observed experimentally. The present study is helpful for deepening the understandings to the basic physical-chemical processes in the discharges in contact with liquids, especially to those occurring in the vicinity of the gas-liquid interface, and also for promoting existing and potential applications of such type of discharges in the fields of environmental protection, biomedicine, agriculture, and so on.展开更多
The purpose of this research was conducted to determine the physical factors, namely water temperature, total dissolved solids, total suspended solids, electrical conductivity and chemical water including pH, phosphat...The purpose of this research was conducted to determine the physical factors, namely water temperature, total dissolved solids, total suspended solids, electrical conductivity and chemical water including pH, phosphate, BOD （biochemical oxygen demand）, COD （chemical oxygen demand）, DO （dissolved oxygen）. The factors of physics and chemistry can affect the rate of eutrophication. The data obtained through laboratory analysis of physical and chemical parameters of water samples. Water samples were taken from 8 observation stations. Highly variable results were obtained in each observation station. Data physical parameters were tested with statistical multiple linear regression to determine the effect on water quality, the results show that the physical properties do not affect the rate of eutrophication in Lake Tondano. That is, the amount of total dissolved solids content and total suspended solids, will not affect the rate of eutrophication in Lake Tondano. The results of multiple linear regression satistik test against chemical parameter data that is phosphate, BOD, COD and DO showed as a significant effect on the rate of eutrophication in lakes. The higher phosphate levels will be higher as the increase of the rate of eutrophication in Lake Tondano.展开更多
The community of Figuig is located in a desert area, east of Morocco. It is characterized by an arid climate. Part of the aquifers of the area has a high salinity which creates even worst conditions for the use of the...The community of Figuig is located in a desert area, east of Morocco. It is characterized by an arid climate. Part of the aquifers of the area has a high salinity which creates even worst conditions for the use of the scarce water available in the area. Therefore, it is essential to develop new water resources, especially for agriculture. For this reason, reclaiming wastewater for agricultural use is an essential strategy to increase water resources. The studied system is a wastewater treatment plant （WWTP） with stabilisation ponds; it treats a part of the wastewater of Figuig. The monitoring of the WWTP will allow to the physico-chemical and biological characterization of the treated water, and then, to verify two principal points： （1） the physico-chemical and pathogen parasites elimination; （2） the possibility of the treated water reuse in agricultural irrigation. The reductions recorded at the WWTP show a relatively preferment operation with an average decrease of 3.17 Ulog for faecal coliforms and 50-60% for organic matter. It was observed that the taxonomic density is slow in the WWTP; observed species are generally Cyanobacteria, Euglénophycea and Chlorophycea characteristic of eutrophic water sources.展开更多
We study the icosahedral transformations of solid Cu Co clusters with different initial configurations by using molecular dynamics with the embedded atom method. It is found that the formation of symmetric icosahedral...We study the icosahedral transformations of solid Cu Co clusters with different initial configurations by using molecular dynamics with the embedded atom method. It is found that the formation of symmetric icosahedral cluster is strongly related to the atomic number and initial configuration. The transformation originates from the surface into the interior of the cluster and is a structural change which is rapid and diffusionless. The icosahedral clusters with any composition and configuration, such as core-shell or three-shell duster, can be prepared by the means of solid-solid phase transition in bimetallic clusters.展开更多
文摘As evidenced from recent literature,interest in employing information theory measures for understanding different properties of atomic and molecular systems is increasing tremendously.Following our earlier efforts in this field,we here evaluate the feasibility of using information theory functionals such as Fisher information,Shannon entropy,Onicescu information energy,and Ghosh-Berkowitz-Parr entropy as measures of steric effects for the steric analysis of water nanoclusters.Taking the structural isomers of water hexamers as working models and using information theoretic quantities,we show that the relative energies of water nanoclusters and the computed steric energies are related.We also show the strong effects of steric repulsion on conformational stabilities.At the same time,we have also assessed the usefulness of simultaneously considering the different information theoretic quantities,and achieved more accurate descriptions of the stability of water nanoclusters.In order to consider the effects of cluster size on the obtained results and the extent of applicability of information theoretic quantities,we have also benchmarked larger water nanoclusters with 32 and 64 units.Scrutinizing the obtained data from information theory functionals,we found that Fisher information shows the best overall performance.Our findings underline that the information theoretic quantities,especially Fisher information,can be used as quantitative measures of relative energies and consequently the order of stability of nanoclusters,which affirmed the utility of information theory for investigating various physical and chemical problems.
文摘Acid mine drainage （AMD） is one of the major problems in high sulfur coal mining areas generating acidic water. The acidic mine water generated contain hazardous elements in varying concentrations. The Northeastern Indian coalfield produces considerable amounts of AMD. The AMD and metal leaching from coal and mine over burden （OB） are the two important naturally occurring processes. In order to know the AMD potential, the aqueous leaching experiment of a few coal and OB samples from the Ledo colliery of the Northeastern coalfield, Mergherita （India）, at different time periods （1, 3, 5, and 8 h） and at different temperatures （25, 45, 65, and 90℃） were performed in the laboratory. The physico- chemical analysis of the aqueous leachates shows the pH, electrical conductivity （EC）, and total dissolved solid （TDS） in the range of 1.62-3.52, 106-2006 μs/cm, and 106-1003 ppm for the raw coal samples respectively. The OB samples produced pH, EC, and TDS in the range of 3.68-6.92, 48.6-480 μs/cm, and 69.5-240 ppm respectively. From the study, it was revealed that the concentrations of major （Si, A1, K, Na, Fe, Ca, Mg）, minor （Mn） and trace/hazardous elements （As, Ba, Cd, Co, Cr, Cu, Hg, Ni, Pb, Se, Zn） considerably change with leaching time as well as with leaching temperature. Out of these elements As, Cd, Hg, Pb, Cr, and Se are of greater environmental importance. Alteration of the physico-chemical structure of the coal and OB samples resulting from leaching was also studied by field emission scanning electron microscope- energy-dispersive X-ray spectroscopy method. The release of the potentially hazardous elements from the raw coal and OB during leaching time periods to the leachates was detected by inductively coupled plasma-atomic emission spectroscopy and ion-chromatographic analyses. The major minerals found in coal and OB are quartz （SiO2）, pyrite （FeS2）, hematite, marcasite, and kaolinite. The association of different functional groups in minerals and their mode of association were studied by Fourier-transform infrared spectroscopy and X-ray diffraction analytical techniques. The present laboratory study will be useful in relating the characteristics of aqueous leaching from coal and mine OB with the natural weathering condition at the coal mine area.
文摘The dromedary camel （Camelus dromedarius） is a significant socioeconomic importance in several arid and semi-arid regions of North Africa and Middle East, and its milk constitutes an important component of human diets in these regions. The camel milk plays a vital role in the food of the Algerian nomads in the Sahara. During February and September, 20 samples of the raw camel＇s milk were taken starting from different livestock of camels from three different Sahariennes regions （Bechar, EI-Bayadh and Naama）. These 20 collected samples were analyzed by physico-chemical and microbiological methods. The results of physicochemical analyze obtained from two hot and cold seasons are respectively the following： T ~C （35.83 and 33.95）, pH （6.36 and 6.49）, density （1.031 and 1.032）, dornic acidity （18.6 and 18.3 ~D）, dry matter （93.4 and 144.8 g/L）, fat contents （30 and 52.1 g/L）, total protein （26.3 and 33.1 g/L） and ashes （7.46 and 8.66 g/L）. The protein profile obtained by electrophoretic analysis （SDS-PAGE） showed that camel milk contains several types of proteins and some have a molecular weight identical to major proteins of the cow＇s milk. The final results showed that camel milk has generally a comparable composition to that of bovine milk. The microbiological analysis, of these samples, detected a significant number of the total microflora, Staphylococcus aureus and total coliforms. The absence of Clostridium and fecal coliforms was observed. Several species of lactic acid bacteria were detected such as Lactococcus lactis subsp, lactis, Lactococcus lactis subsp, lactis biovar, diacetylactis, Weissella cibaria and Enteroccocusfeacalis.
基金supported by the Major Science and Technology Program for Water Pollution Control and Treatment(No.2014ZX07215-001)partly by National Natural Science Foundation of China(Nos.11475103,51578309)the Chinese Scholarship Council for the financial assistance of my PhD program in Tsinghua University of China
文摘In this paper, the AC-excited helium discharges generated between the powered needle electrode enclosed in a conical quartz tube and the grounded de-ionized water electrode are investigated. The current and voltage waveforms exhibit a transition from the glow-like to streamer-like mode discharges, which forms a stable cone-shaped structure at the gas-liquid interface. In this region, the air and water vapor diffusion initiate various physical-chemical processes leading to substantial changes of the primary species emission intensities （e.g., OH, N2, NO, and O） and the rotational temperatures. The experimentally measured rotational temperature at the gas-liquid interface is 870 K from the Nz（C-B） band with a power input of 26 W. With the prolongation of the discharge time, significant changes in the discharge voltage and current, discharge emission patterns, instantaneous concentrations of the secondary species （e.g., H202, NO2, and NO3） in the liquid phase, pH values and electrical conductivities of the liquids are observed experimentally. The present study is helpful for deepening the understandings to the basic physical-chemical processes in the discharges in contact with liquids, especially to those occurring in the vicinity of the gas-liquid interface, and also for promoting existing and potential applications of such type of discharges in the fields of environmental protection, biomedicine, agriculture, and so on.
文摘The purpose of this research was conducted to determine the physical factors, namely water temperature, total dissolved solids, total suspended solids, electrical conductivity and chemical water including pH, phosphate, BOD （biochemical oxygen demand）, COD （chemical oxygen demand）, DO （dissolved oxygen）. The factors of physics and chemistry can affect the rate of eutrophication. The data obtained through laboratory analysis of physical and chemical parameters of water samples. Water samples were taken from 8 observation stations. Highly variable results were obtained in each observation station. Data physical parameters were tested with statistical multiple linear regression to determine the effect on water quality, the results show that the physical properties do not affect the rate of eutrophication in Lake Tondano. That is, the amount of total dissolved solids content and total suspended solids, will not affect the rate of eutrophication in Lake Tondano. The results of multiple linear regression satistik test against chemical parameter data that is phosphate, BOD, COD and DO showed as a significant effect on the rate of eutrophication in lakes. The higher phosphate levels will be higher as the increase of the rate of eutrophication in Lake Tondano.
文摘The community of Figuig is located in a desert area, east of Morocco. It is characterized by an arid climate. Part of the aquifers of the area has a high salinity which creates even worst conditions for the use of the scarce water available in the area. Therefore, it is essential to develop new water resources, especially for agriculture. For this reason, reclaiming wastewater for agricultural use is an essential strategy to increase water resources. The studied system is a wastewater treatment plant （WWTP） with stabilisation ponds; it treats a part of the wastewater of Figuig. The monitoring of the WWTP will allow to the physico-chemical and biological characterization of the treated water, and then, to verify two principal points： （1） the physico-chemical and pathogen parasites elimination; （2） the possibility of the treated water reuse in agricultural irrigation. The reductions recorded at the WWTP show a relatively preferment operation with an average decrease of 3.17 Ulog for faecal coliforms and 50-60% for organic matter. It was observed that the taxonomic density is slow in the WWTP; observed species are generally Cyanobacteria, Euglénophycea and Chlorophycea characteristic of eutrophic water sources.
基金Supported by the National Natural Science Foundation of China under Grant No 50374027, the Programme for New Century Excellent Talents in University under Grant No NCET-06-0289, and the 111 Project of the Ministry of Education of China under Grant No B07015.
文摘We study the icosahedral transformations of solid Cu Co clusters with different initial configurations by using molecular dynamics with the embedded atom method. It is found that the formation of symmetric icosahedral cluster is strongly related to the atomic number and initial configuration. The transformation originates from the surface into the interior of the cluster and is a structural change which is rapid and diffusionless. The icosahedral clusters with any composition and configuration, such as core-shell or three-shell duster, can be prepared by the means of solid-solid phase transition in bimetallic clusters.
