将化工热力学溶液理论和化工流程模拟有机结合,设计了正己烷-甲基环戊烷萃取精馏计算型实验。通过类导体屏蔽电荷真实溶液模型(conductor-like screening model for real solvents,COSMO-RS)计算,基于溶解性、选择性指标筛选离子液体溶...将化工热力学溶液理论和化工流程模拟有机结合,设计了正己烷-甲基环戊烷萃取精馏计算型实验。通过类导体屏蔽电荷真实溶液模型(conductor-like screening model for real solvents,COSMO-RS)计算,基于溶解性、选择性指标筛选离子液体溶剂;通过量子化学计算及屏蔽电荷密度曲线分析溶剂和溶质分子相互作用,探究离子液体促进分离过程的机理;基于筛选的溶剂,利用Aspen Plus软件计算优化萃取分离工艺。该综合实验融合了化工热力学、化工原理和过程系统工程等专业课程内容,同时将学科理论知识与工程实践应用有机结合,强化了专业基本功训练,激发了研究兴趣,提升了创新能力。展开更多
依据真实溶剂类导体屏蔽模型(Conductor-like Screening Model for Real Solvents,COSMO-RS),通过计算筛选出银杏叶中类黄酮提取所用的天然低共熔溶剂(Natural Deep Eutectic Solvents,NADESs)。以类黄酮得率为考察指标,在单因素实验的...依据真实溶剂类导体屏蔽模型(Conductor-like Screening Model for Real Solvents,COSMO-RS),通过计算筛选出银杏叶中类黄酮提取所用的天然低共熔溶剂(Natural Deep Eutectic Solvents,NADESs)。以类黄酮得率为考察指标,在单因素实验的基础上,采用Box-Behnken响应面法对提取工艺进行优化。结果表明:氯化胆碱/甘油体系(摩尔比1∶2)为较优的NADESs,当银杏叶与NADESs固液比为1∶30.7(g/mL),73.2℃下提取4.1 h时,回归模型预测类黄酮理论得率可高达5.70%,与验证试验值5.68%基本一致。本研究采用计算机模拟与实验相结合方法,为天然产物提取所用溶剂的筛选及后续工艺优化提供参考。展开更多
To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conduc...To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conducted based on the numerical results of two mathematical models,the rigid-body model and fluid-structure interaction model.In addition,the applicable scope of the above two methods,and the structural response characteristics of the projectile have also been investigated.Our results demonstrate that:(1) The impact loads and angular motion of the projectile of the rigid-body method are more likely to exhibit periodic variations due to the periodic tail slap,its range of positive angles of attack is about α<2°.(2) When the projectile undergone significant wetting,a strong coupling effect is observed among wetting,structural deformation,and projectile motion.With the applied projectile shape,it is observed that,when the projectile bends,the final wetting position is that of Part B(cylinder of body).With the occu rrence of this phenomenon,the projectile ballistics beco me completely unstable.(3) The force exerted on the lower surface of the projectile induced by wetting is the primary reason of the destabilization of the projectile traj ectory and structu ral deformation failure.Bending deformation is most likely to appear at the junction of Part C(cone of body) and Part D(tail).The safe angles of attack of the projectile stability are found to be about α≤2°.展开更多
Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging f...Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).展开更多
Ice load on underwater vehicles breaking through ice covers from underneath is a significant concern for researchers in polar exploration,and the research on this problem is still in its early stages.Both mechanical e...Ice load on underwater vehicles breaking through ice covers from underneath is a significant concern for researchers in polar exploration,and the research on this problem is still in its early stages.Both mechanical experimental measurement and numerical simulation pose research challenges.This study focuses on the ice load of a cylinder structure breaking upward through the ice sheet form underneath in the Small Ice Model Basin of China Ship Scientific Research Center(CSSRC SIMB).A high-speed camera system was employed to observe the ice sheet failure during the tests,in which,with the loading position as center,local radial cracks and circumferential cracks were generated.A load sensor was used to measure the overall ice load during this process.Meanwhile,a numerical model was developed using LS-DYNA for validation and comparison.With this model,numerical simulation was conducted under various ice thicknesses and upgoing speeds to analyze the instantaneous curves of ice load.The calculation results were statistically analyzed under different working conditions to determine the influence of the factors on the ice load of the cylinder.The study explores the measurement method about ice load of objects vertically breaking through model ice sheet and is expected to provide some fundamental insights into the safety design of underwater structures operating in ice waters.展开更多
A stochastic epidemic model with two age groups is established in this study,in which the susceptible(S),the exposed(E),the infected(I),the hospitalized(H)and the recovered(R)are involved within the total population,t...A stochastic epidemic model with two age groups is established in this study,in which the susceptible(S),the exposed(E),the infected(I),the hospitalized(H)and the recovered(R)are involved within the total population,the aging rates between two age groups are set to be constant.The existence-and-uniqueness of global positive solution is firstly showed.Then,by constructing several appropriate Lyapunov functions and using the high-dimensional Itô’s formula,the sufficient conditions for the stochastic extinction and stochastic persistence of the exposed individuals and the infected individuals are obtained.The stochastic extinction indicator and the stochastic persistence indicator are less-valued expressions compared with the basic reproduction number.Meanwhile,the main results of this study are modified into multi-age groups.Furthermore,by using the surveillance data for Fujian Provincial Center for Disease Control and Prevention,Fuzhou COVID-19 epidemic is chosen to carry out the numerical simulations,which show that the age group of the population plays the vital role when studying infectious diseases.展开更多
文摘将化工热力学溶液理论和化工流程模拟有机结合,设计了正己烷-甲基环戊烷萃取精馏计算型实验。通过类导体屏蔽电荷真实溶液模型(conductor-like screening model for real solvents,COSMO-RS)计算,基于溶解性、选择性指标筛选离子液体溶剂;通过量子化学计算及屏蔽电荷密度曲线分析溶剂和溶质分子相互作用,探究离子液体促进分离过程的机理;基于筛选的溶剂,利用Aspen Plus软件计算优化萃取分离工艺。该综合实验融合了化工热力学、化工原理和过程系统工程等专业课程内容,同时将学科理论知识与工程实践应用有机结合,强化了专业基本功训练,激发了研究兴趣,提升了创新能力。
文摘依据真实溶剂类导体屏蔽模型(Conductor-like Screening Model for Real Solvents,COSMO-RS),通过计算筛选出银杏叶中类黄酮提取所用的天然低共熔溶剂(Natural Deep Eutectic Solvents,NADESs)。以类黄酮得率为考察指标,在单因素实验的基础上,采用Box-Behnken响应面法对提取工艺进行优化。结果表明:氯化胆碱/甘油体系(摩尔比1∶2)为较优的NADESs,当银杏叶与NADESs固液比为1∶30.7(g/mL),73.2℃下提取4.1 h时,回归模型预测类黄酮理论得率可高达5.70%,与验证试验值5.68%基本一致。本研究采用计算机模拟与实验相结合方法,为天然产物提取所用溶剂的筛选及后续工艺优化提供参考。
基金supported by the Postgraduate Research&Practice Innovation Program of Jiangsu Province(Grant No.KYCX24_0714).
文摘To examine the similarities and differences in the evolution of cavity,wetting and dynamics of a highspeed,oblique water-entry projectile with different positive angles of attack,a comparative analysis has been conducted based on the numerical results of two mathematical models,the rigid-body model and fluid-structure interaction model.In addition,the applicable scope of the above two methods,and the structural response characteristics of the projectile have also been investigated.Our results demonstrate that:(1) The impact loads and angular motion of the projectile of the rigid-body method are more likely to exhibit periodic variations due to the periodic tail slap,its range of positive angles of attack is about α<2°.(2) When the projectile undergone significant wetting,a strong coupling effect is observed among wetting,structural deformation,and projectile motion.With the applied projectile shape,it is observed that,when the projectile bends,the final wetting position is that of Part B(cylinder of body).With the occu rrence of this phenomenon,the projectile ballistics beco me completely unstable.(3) The force exerted on the lower surface of the projectile induced by wetting is the primary reason of the destabilization of the projectile traj ectory and structu ral deformation failure.Bending deformation is most likely to appear at the junction of Part C(cone of body) and Part D(tail).The safe angles of attack of the projectile stability are found to be about α≤2°.
文摘Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).
文摘Ice load on underwater vehicles breaking through ice covers from underneath is a significant concern for researchers in polar exploration,and the research on this problem is still in its early stages.Both mechanical experimental measurement and numerical simulation pose research challenges.This study focuses on the ice load of a cylinder structure breaking upward through the ice sheet form underneath in the Small Ice Model Basin of China Ship Scientific Research Center(CSSRC SIMB).A high-speed camera system was employed to observe the ice sheet failure during the tests,in which,with the loading position as center,local radial cracks and circumferential cracks were generated.A load sensor was used to measure the overall ice load during this process.Meanwhile,a numerical model was developed using LS-DYNA for validation and comparison.With this model,numerical simulation was conducted under various ice thicknesses and upgoing speeds to analyze the instantaneous curves of ice load.The calculation results were statistically analyzed under different working conditions to determine the influence of the factors on the ice load of the cylinder.The study explores the measurement method about ice load of objects vertically breaking through model ice sheet and is expected to provide some fundamental insights into the safety design of underwater structures operating in ice waters.
基金Supported by National Natural Science Foundation of China(61911530398,12231012)Consultancy Project by the Chinese Academy of Engineering(2022-JB-06,2023-JB-12)+3 种基金the Natural Science Foundation of Fujian Province of China(2021J01621)Special Projects of the Central Government Guiding Local Science and Technology Development(2021L3018)Royal Society of Edinburgh(RSE1832)Engineering and Physical Sciences Research Council(EP/W522521/1).
文摘A stochastic epidemic model with two age groups is established in this study,in which the susceptible(S),the exposed(E),the infected(I),the hospitalized(H)and the recovered(R)are involved within the total population,the aging rates between two age groups are set to be constant.The existence-and-uniqueness of global positive solution is firstly showed.Then,by constructing several appropriate Lyapunov functions and using the high-dimensional Itô’s formula,the sufficient conditions for the stochastic extinction and stochastic persistence of the exposed individuals and the infected individuals are obtained.The stochastic extinction indicator and the stochastic persistence indicator are less-valued expressions compared with the basic reproduction number.Meanwhile,the main results of this study are modified into multi-age groups.Furthermore,by using the surveillance data for Fujian Provincial Center for Disease Control and Prevention,Fuzhou COVID-19 epidemic is chosen to carry out the numerical simulations,which show that the age group of the population plays the vital role when studying infectious diseases.
