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解结构动力问题的半隐式Runge-Kutta型并行直接积分法 被引量:4
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作者 周树荃 高科华 《计算物理》 CSCD 北大核心 1992年第2期133-138,共6页
本文利用三级三阶半隐式Runge-Kutta法解结构动力问题,并用多项式预处理共轭梯度法解有关方程组。提出了半隐式Runge-Kutta型并行直接积分法RK33P。在YH-1机上,与相应的串行算法RK33S相比较,当有关方程组的阶数为10~3~10~4时,加速比可... 本文利用三级三阶半隐式Runge-Kutta法解结构动力问题,并用多项式预处理共轭梯度法解有关方程组。提出了半隐式Runge-Kutta型并行直接积分法RK33P。在YH-1机上,与相应的串行算法RK33S相比较,当有关方程组的阶数为10~3~10~4时,加速比可达24~27。 展开更多
关键词 并行直接积分 结构动力学 r-k型
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Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures 被引量:2
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作者 Xiangdong Li Minqing Zhang +2 位作者 Jinli Zhang Wenpeng Li Wei Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2017年第10期1473-1480,共8页
The solubilities of trimethylolethane in butanol,methyl acetate,ethyl acetate as well as in mixed solvents of(methanol+ethyl acetate) and(ethanol+ethyl acetate) were measured with the gravimetric method in the tempera... The solubilities of trimethylolethane in butanol,methyl acetate,ethyl acetate as well as in mixed solvents of(methanol+ethyl acetate) and(ethanol+ethyl acetate) were measured with the gravimetric method in the temperature range from 283.15 K to 318.15 K under atmosphere pressure.The experiment results showed that the solubility of trimethylolethane increased with the temperature,or along with the concentration of methanol or ethanol in the solvents of(methanol+ethyl acetate) and(ethanol + ethyl acetate).In addition,the experiment values were correlated by the van't Hoff equation,Modi fied Apelblat Equation,λh Equation,CNIBS/R-K equation and Jouyban–Acree Model.The Modi fied Apelblat Equation provided the best fitting results of the solubility data of TME in the pure solvents while the CNIBS/R-K model showed the best estimation of the solubility in the binary solvent mixtures.Furthermore,the density functional theory(DFT) calculations showed that solubility in different solvents related to the strength of the interaction between the trimethylolethane and the solvent molecules.Finally,the standard molar enthalpy and molar entropy of trimethylolethane during the dissolving process was also calculated by Modi fied Apelblat equation in this work. 展开更多
关键词 Trimethylolethane Solubility Phase equilibria Molecular simulation Dissolution enthalpy Dissolution entropy
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Thermodynamic properties of metamizol monohydrate in pure and binary solvents at temperatures from(283.15 to 313.15) K 被引量:3
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作者 Mingxia Guo Qiuxiang Yin +7 位作者 Chang Wang Yaohui Huang Yang Li Zaixiang Zhang Xia Zhang Zhao Wang Meijing Zhang Ling Zhou 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2017年第10期1481-1491,共11页
The thermodynamic properties of metamizol monohydrate in pure solvents(methanol,ethanol,n-propanol and isopropanol) and two binary mixed solvent systems including(methanol+ethanol) and(methanol+isopropanol) were measu... The thermodynamic properties of metamizol monohydrate in pure solvents(methanol,ethanol,n-propanol and isopropanol) and two binary mixed solvent systems including(methanol+ethanol) and(methanol+isopropanol) were measured from 283.15 K to 313.15 K by gravimetric method under atmospheric pressure thought as 0.1 MPa.The modi fied Apelblat equation,the CNIBS/R-K equation,the Hybrid model and the NRTL model were used to correlate the solubility of metamizol monohydrate,respectively.The results show that the solubility of metamizol monohydrate in all the tested solvents increases with the rising temperature which means that it has temperature dependence.What's more,the effects of solvent components of the binary solvent mixtures on solubility were discussed,it illustrates that the increasing of the molar fraction of methanol gives the system a greater dissolving power.Furthermore,according to the NRTL model,the enthalpy,the Gibbs energy and the entropy of the mixing process were also obtained and discussed. 展开更多
关键词 Metamizol monohydrate Solubility Thermodynamic properties Correlation
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