The exchange action of six types of organic phenols on clay surfaces in seawater is systematically studied in this work. The following significant conclusions are drawn from the experiments. (1) The interaction of org...The exchange action of six types of organic phenols on clay surfaces in seawater is systematically studied in this work. The following significant conclusions are drawn from the experiments. (1) The interaction of organic phenols with montmorillonite, illite and kaolinite in seawater is monovalent anion exchage.(2) Their isotherms of stepwise exchage on clay surfaces belong to the Langmuir type or stepwise type.(3) The discovery of the"steric hindrance effects of stepwise exchange of organic phenols on clays surfaces", and revelation of an exchange mechanisrn diffeient from that in references are the greatest achieverments in this work.展开更多
In this work, the isotherm and energy distribution atT= 304 K of dense helium are studied by molecular dynamic (MD) simulations with exp-6 potential r* = 2.967 3 á (the position of the weil minimum) and ?/k B = 1...In this work, the isotherm and energy distribution atT= 304 K of dense helium are studied by molecular dynamic (MD) simulations with exp-6 potential r* = 2.967 3 á (the position of the weil minimum) and ?/k B = 10.8 K (? is the well-depth andk B is the Boltzmann constant) given by Peter et al., and different values of stiffness parameter α. The optimized value of α= 12.7 is deduced that can describe the atomic interactions for dense helium satisfactorily. This optimized α in exp-6 potential is used to conduct MD simulations of two isotherms of dense helium atT= 300 K andT = 298 K. The calculations are in good agreement with the experimental. We further employed this method to investigate the equation-of-state and structure of dense helium at higher temperatures and found that when the density remained 1.6 g/cm3, the second peak of the radial distribution function would disappear in the temperature range from 2 000 to 3 040 K, demonstrating that a solid-liquid transition or decrystallization had occurred.展开更多
基金Project supported by the National Natural Science Fund. (Nos. E 85111 and 4890275)
文摘The exchange action of six types of organic phenols on clay surfaces in seawater is systematically studied in this work. The following significant conclusions are drawn from the experiments. (1) The interaction of organic phenols with montmorillonite, illite and kaolinite in seawater is monovalent anion exchage.(2) Their isotherms of stepwise exchage on clay surfaces belong to the Langmuir type or stepwise type.(3) The discovery of the"steric hindrance effects of stepwise exchange of organic phenols on clays surfaces", and revelation of an exchange mechanisrn diffeient from that in references are the greatest achieverments in this work.
文摘In this work, the isotherm and energy distribution atT= 304 K of dense helium are studied by molecular dynamic (MD) simulations with exp-6 potential r* = 2.967 3 á (the position of the weil minimum) and ?/k B = 10.8 K (? is the well-depth andk B is the Boltzmann constant) given by Peter et al., and different values of stiffness parameter α. The optimized value of α= 12.7 is deduced that can describe the atomic interactions for dense helium satisfactorily. This optimized α in exp-6 potential is used to conduct MD simulations of two isotherms of dense helium atT= 300 K andT = 298 K. The calculations are in good agreement with the experimental. We further employed this method to investigate the equation-of-state and structure of dense helium at higher temperatures and found that when the density remained 1.6 g/cm3, the second peak of the radial distribution function would disappear in the temperature range from 2 000 to 3 040 K, demonstrating that a solid-liquid transition or decrystallization had occurred.
