Unilamellar vesicles from the mixtures of 1:1 sodium 10-undecenoate and trimethyl[2-(10-undecenoyloxy)ethyl]ammonium iodide in the mixed solvents of ethanol and heptane can be formed spontaneously or by sonication. Th...Unilamellar vesicles from the mixtures of 1:1 sodium 10-undecenoate and trimethyl[2-(10-undecenoyloxy)ethyl]ammonium iodide in the mixed solvents of ethanol and heptane can be formed spontaneously or by sonication. They can exist in the variation of concentrations and volume ratios of ethanol to heptane, which indicates to some extent the high capability of vesicle formation in such mixed systems.展开更多
The mass entransy describes the mass-diffusion ability of the solution system, and the mass-diffusion process with the finite concentration difference always leads to the mass-entransy dissipation. This paper studies ...The mass entransy describes the mass-diffusion ability of the solution system, and the mass-diffusion process with the finite concentration difference always leads to the mass-entransy dissipation. This paper studies the equimolar reverse constant-temperature mass-diffusion process with Fick's law( g∝Δ(c)). The optimal concentration paths for the MED(Minimum Entransy Dissipation) are derived and compared with those for the MEG(Minimum Entropy Generation) and CCR(Constant Concentration Ratio) operations. It is indicated that the strategy of the MED is equivalent to that of the CCD(Constant Concentration Difference) of the same component; whether the MED or the MEG is selected as the optimization objective, the strategy of the CCD is much better than that of the CCR.展开更多
For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most timeconsuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enh...For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most timeconsuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enhance the precision of the computation. A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper. Two thousand particles are taken as example to show how to carry out our scheme.展开更多
文摘Unilamellar vesicles from the mixtures of 1:1 sodium 10-undecenoate and trimethyl[2-(10-undecenoyloxy)ethyl]ammonium iodide in the mixed solvents of ethanol and heptane can be formed spontaneously or by sonication. They can exist in the variation of concentrations and volume ratios of ethanol to heptane, which indicates to some extent the high capability of vesicle formation in such mixed systems.
基金supported by the National Natural Science Foundation of China (Grant Nos. 51576207 & 51356001)
文摘The mass entransy describes the mass-diffusion ability of the solution system, and the mass-diffusion process with the finite concentration difference always leads to the mass-entransy dissipation. This paper studies the equimolar reverse constant-temperature mass-diffusion process with Fick's law( g∝Δ(c)). The optimal concentration paths for the MED(Minimum Entransy Dissipation) are derived and compared with those for the MEG(Minimum Entropy Generation) and CCR(Constant Concentration Ratio) operations. It is indicated that the strategy of the MED is equivalent to that of the CCD(Constant Concentration Difference) of the same component; whether the MED or the MEG is selected as the optimization objective, the strategy of the CCD is much better than that of the CCR.
基金Project supported by the National Natural Science Foundation of China(Grant No.10772189)the Knowledge Innovation Program of Chinese Academy of Sciences
文摘For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most timeconsuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enhance the precision of the computation. A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper. Two thousand particles are taken as example to show how to carry out our scheme.
