Combining Peng-Robinson （PR） equation of state （EoS） with an association model derived from shield-sticky method （SSM） by Liu et al., a new cubic-plus-association （CPA） EoS is proposed to describe the ther-mod...Combining Peng-Robinson （PR） equation of state （EoS） with an association model derived from shield-sticky method （SSM） by Liu et al., a new cubic-plus-association （CPA） EoS is proposed to describe the ther-modynamic properties of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria （VLE） for binary mixtures of ILs ＋ non-associating solvents and ＋ associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs ＋ non-associating mixtures from CPA, lattice-fluid （LF） and square-well chain fluids with variable range （SWCF-VR） EoSs are compared.展开更多
The effects of atomic-level rnixing are systemically investigated in a multifluid interpenetration mix model ,and results are compared with the single-fluid model＇s simulations and experimental data. It is shown that...The effects of atomic-level rnixing are systemically investigated in a multifluid interpenetration mix model ,and results are compared with the single-fluid model＇s simulations and experimental data. It is shown that increasing the model free parameter α, shock Mach number, and the initial density discontinuity makes the mix length and fraction of mixing particle increase, resulting in the lower shock temperatures compared with the results of single-fluid model without mixing. Recent high-compressibility direct-drive spherical implosions on OMEGA are simulated by the interpenetration mix modal. The calculations with atomic mixing between fuel and shell match quite well with the observations. Without considering any mixing, the calculated neutron yields and ion temperatures are overpredicted; while inclusion of the interpenetration mix model with the adjustable parameter α could fit the simulated neutron yields and ion temperatures well with experimental data.展开更多
基金Supported by the National Natural Science Foundation of China （20876041, 20736002）, the National Basic Research Program of China （2009CB219902）, the Program for Changjiang Scholars and Innovative Research Team in University of China （Grant IRT0721） and the Programme of Introducing Talents of Discipline to Universities （Grant B08021） of China.
文摘Combining Peng-Robinson （PR） equation of state （EoS） with an association model derived from shield-sticky method （SSM） by Liu et al., a new cubic-plus-association （CPA） EoS is proposed to describe the ther-modynamic properties of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria （VLE） for binary mixtures of ILs ＋ non-associating solvents and ＋ associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs ＋ non-associating mixtures from CPA, lattice-fluid （LF） and square-well chain fluids with variable range （SWCF-VR） EoSs are compared.
基金Supported by the National Basic Research Program of China under Grant No.2007CB815100the National Natural Science Foundation of China under Grant Nos.10775020 and 10935003
文摘The effects of atomic-level rnixing are systemically investigated in a multifluid interpenetration mix model ,and results are compared with the single-fluid model＇s simulations and experimental data. It is shown that increasing the model free parameter α, shock Mach number, and the initial density discontinuity makes the mix length and fraction of mixing particle increase, resulting in the lower shock temperatures compared with the results of single-fluid model without mixing. Recent high-compressibility direct-drive spherical implosions on OMEGA are simulated by the interpenetration mix modal. The calculations with atomic mixing between fuel and shell match quite well with the observations. Without considering any mixing, the calculated neutron yields and ion temperatures are overpredicted; while inclusion of the interpenetration mix model with the adjustable parameter α could fit the simulated neutron yields and ion temperatures well with experimental data.
