The Grand Canonical Monte Carlo(GCMC) simulation method was used to investigate the adsorption properties of quinoline homologues(quinoline, 2-methyl quinoline, and 2,4-dimethyl quinoline) on the FAU zeolite. The adso...The Grand Canonical Monte Carlo(GCMC) simulation method was used to investigate the adsorption properties of quinoline homologues(quinoline, 2-methyl quinoline, and 2,4-dimethyl quinoline) on the FAU zeolite. The adsorption heat, adsorption isotherms, and adsorption sites of them were obtained. At the temperature ranging from 673.15 to 873.15 K, the Henry constant of quinoline homologues calculated on the FAU zeolite was applied to simulate their adsorption heat. And its value was more in accordance with the related data reported in the literature. The results showed that their isosteric heat decreased in the following order: 2,4-dimethyl quinoline(118.63 kJ/mol) > 2-methyl quinoline(110.45 kJ/mol) > quinoline(98 kJ/mol), and complied with the order of their adsorbate basicity. The competitive adsorption of three components of quinoline homologues on the FAU zeolite was calculated numerically at a temperature of 773.15 K and a pressure range of 0.1—100 MPa under the Universal force field. Their adsorption capacity decreased in the following order: quinoline > 2-methyl quinoline > 2,4-dimethyl quinoline. The smaller the molecule size of the adsorbate, the greater the saturated adsorption capacity would be. It was found that the quinoline homologues could be adsorbed in the main channels of 12- membered-ring framework of the zeolite. Simultaneously, the influence of silica/alumina ratio on the adsorption property of quinoline homologues in FAU zeolite was studied. The smaller the silica/alumina ratio, the greater the isosteric heat and adsorption capacity would be.展开更多
The linear and nonlinear optical properties of a hydrogenic donor in a disc-like parabolic quantum dot in the presence of an external magnetic field are studied. The calculations were performed within the effective ma...The linear and nonlinear optical properties of a hydrogenic donor in a disc-like parabolic quantum dot in the presence of an external magnetic field are studied. The calculations were performed within the effective mass approximation, using the matrix diagonalization method and the compact density-matrix approach. The linear and nonlinear optical absorption coefficients between the ground （L =0） and the first excited state （L = 1） have been examined based on the computed energies and wave functions. We find that the linear, nonlinear third-order, and total optical absorption coefficients are strongly affected by the confinement strength of QDs, the external magnetic field, and the incident optical intensity.展开更多
In order to obtain the perforation depth, the three zones with different permeability because of plastic deformation and fluid invasion were studied based on related theories. The study shows that the calculation of p...In order to obtain the perforation depth, the three zones with different permeability because of plastic deformation and fluid invasion were studied based on related theories. The study shows that the calculation of perforation depth should take account of not only damaged zone, but also plastic zone, because the plastic zone has much lower permeability. The required minimum perforation depth was obtained by making the solution of elastic/plastic equations, and the factors affecting perforation depth were analyzed accordingly.展开更多
In this study, sixteen soil and vegetable samples from Tafila district were collected and analyzed from eight locations. Measurements of specific activity of natural gamma emitter radionuclides, 23SU and 235U, in thes...In this study, sixteen soil and vegetable samples from Tafila district were collected and analyzed from eight locations. Measurements of specific activity of natural gamma emitter radionuclides, 23SU and 235U, in these samples using gamma spectrometry, with the help of Genie 2000 software. Measurements were used to calculate the soil-vegetable transfer factor, and then the external radiation dose and internal radiation dose due to radioactivity of the ingested food. The specific activity of238U and 235U in soil were found to vary from （in Bq/kg）： 26-575 and 1.4-35.5, respectively. The specific activity of 238U and 235U in vegetables were found to vary from （in Bq/kg）： 0.019 to 0.632 and 0.0013-0.0375, respectively. The calculated transfer factor of Z3SU and Z35U range from 5.9 × 10^-4to 14.6 × 10^-4 for 238U and 4.9 × 10^-4 to 16.1 × 10^-4 for 235U. External absorbed dose rates were calculated to be in the range from 12.42 to 266.00 nGy/h. The annual effective dose was found to vary from 28.94 to 619.78 μSv/y. The annual internal effective dose due to 23SU and 23SU for fresh weights ofvegetablesl were found to vary from 0.9 × 10^-3 to 35.1 × 10^-3 μSv/y for 238U and 0.61 × 10^-4 to 17.62 × 10^-4 μSv/y for 235U.展开更多
文摘The Grand Canonical Monte Carlo(GCMC) simulation method was used to investigate the adsorption properties of quinoline homologues(quinoline, 2-methyl quinoline, and 2,4-dimethyl quinoline) on the FAU zeolite. The adsorption heat, adsorption isotherms, and adsorption sites of them were obtained. At the temperature ranging from 673.15 to 873.15 K, the Henry constant of quinoline homologues calculated on the FAU zeolite was applied to simulate their adsorption heat. And its value was more in accordance with the related data reported in the literature. The results showed that their isosteric heat decreased in the following order: 2,4-dimethyl quinoline(118.63 kJ/mol) > 2-methyl quinoline(110.45 kJ/mol) > quinoline(98 kJ/mol), and complied with the order of their adsorbate basicity. The competitive adsorption of three components of quinoline homologues on the FAU zeolite was calculated numerically at a temperature of 773.15 K and a pressure range of 0.1—100 MPa under the Universal force field. Their adsorption capacity decreased in the following order: quinoline > 2-methyl quinoline > 2,4-dimethyl quinoline. The smaller the molecule size of the adsorbate, the greater the saturated adsorption capacity would be. It was found that the quinoline homologues could be adsorbed in the main channels of 12- membered-ring framework of the zeolite. Simultaneously, the influence of silica/alumina ratio on the adsorption property of quinoline homologues in FAU zeolite was studied. The smaller the silica/alumina ratio, the greater the isosteric heat and adsorption capacity would be.
基金supported by National Natural Science Foundation of China under Grant No.10775035
文摘The linear and nonlinear optical properties of a hydrogenic donor in a disc-like parabolic quantum dot in the presence of an external magnetic field are studied. The calculations were performed within the effective mass approximation, using the matrix diagonalization method and the compact density-matrix approach. The linear and nonlinear optical absorption coefficients between the ground （L =0） and the first excited state （L = 1） have been examined based on the computed energies and wave functions. We find that the linear, nonlinear third-order, and total optical absorption coefficients are strongly affected by the confinement strength of QDs, the external magnetic field, and the incident optical intensity.
文摘In order to obtain the perforation depth, the three zones with different permeability because of plastic deformation and fluid invasion were studied based on related theories. The study shows that the calculation of perforation depth should take account of not only damaged zone, but also plastic zone, because the plastic zone has much lower permeability. The required minimum perforation depth was obtained by making the solution of elastic/plastic equations, and the factors affecting perforation depth were analyzed accordingly.
文摘In this study, sixteen soil and vegetable samples from Tafila district were collected and analyzed from eight locations. Measurements of specific activity of natural gamma emitter radionuclides, 23SU and 235U, in these samples using gamma spectrometry, with the help of Genie 2000 software. Measurements were used to calculate the soil-vegetable transfer factor, and then the external radiation dose and internal radiation dose due to radioactivity of the ingested food. The specific activity of238U and 235U in soil were found to vary from （in Bq/kg）： 26-575 and 1.4-35.5, respectively. The specific activity of 238U and 235U in vegetables were found to vary from （in Bq/kg）： 0.019 to 0.632 and 0.0013-0.0375, respectively. The calculated transfer factor of Z3SU and Z35U range from 5.9 × 10^-4to 14.6 × 10^-4 for 238U and 4.9 × 10^-4 to 16.1 × 10^-4 for 235U. External absorbed dose rates were calculated to be in the range from 12.42 to 266.00 nGy/h. The annual effective dose was found to vary from 28.94 to 619.78 μSv/y. The annual internal effective dose due to 23SU and 23SU for fresh weights ofvegetablesl were found to vary from 0.9 × 10^-3 to 35.1 × 10^-3 μSv/y for 238U and 0.61 × 10^-4 to 17.62 × 10^-4 μSv/y for 235U.
