Structural properties of the pure water and halogen solutions at high temperatures and pressures are studied by using the molecular dynamics simulations and quantum molecular simulations. The related characters are ca...Structural properties of the pure water and halogen solutions at high temperatures and pressures are studied by using the molecular dynamics simulations and quantum molecular simulations. The related characters are calculated as functions of temperature and pressure. The results show that the hydrogen bonded networks become looser as temperature increases,with the collapse of the traditional tetrahedral structure. It is similar to the concentration-dependent collapse in the Na Cl solutions. However, adding other halogen elements has no further effects on the already weakly bonded water molecules.At the phase changing points, the process of hydration is evident for the bigger ions, so that the bigger the ion is, the smaller a cluster is formed.展开更多
This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method...This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method （BEM）. Fully nonlinear boundary conditions are imposed on the unknown free surface and the wetted surface of the moving body. The review includes （1） vertical and oblique water entry of a body at constant or a prescribed varying speed, as well as free fall motion, （2） liquid droplets or column impact as well as wave impact on a body, （3） similarity solution of an expanding body. It covers two dimensional （2D）, axisymmetric and three dimensional （3D） cases. Key techniques used in the numerical simulation are outlined, including mesh generation on the multivalued free surface, the stretched coordinate system for expanding domain, the auxiliary function method for decoupling the mutual dependence of the pressure and the body motion, and treatment for the jet or the thin liquid film developed during impact.展开更多
The researches on the structure of water and its changes induced by solutes are of enduring interests. The changes of the local structure of liquid water induced by NaCl solute under ambient conditions are studied and...The researches on the structure of water and its changes induced by solutes are of enduring interests. The changes of the local structure of liquid water induced by NaCl solute under ambient conditions are studied and presented quantitatively with some order parameters and visualized with 2-body and 3-body correlation functions. The results show that, after the NaCl are solvated, the translational order t of water is decreased for the suppression of the second hydration shells around H20 molecules; the tetrahedral order （q） of water is also decreased and its favorite distribution peak moves from 0.76 to 0.5. In addition, the orientational freedom k and the diffusion coefficient D of water molecules are reduced because of new formed hydrogen-bonding structures between water and solvated ions.展开更多
为探究影响柴油机排气管尿素水溶液(urea water solution,UWS)雾化效果的因素,搭建了UWS喷射试验台架,通过激光粒度仪测得尿素液滴粒径分布,并运用Rosin-Rammler函数对试验获得的累积粒径分布进行非线性拟合,利用计算流体力学(computati...为探究影响柴油机排气管尿素水溶液(urea water solution,UWS)雾化效果的因素,搭建了UWS喷射试验台架,通过激光粒度仪测得尿素液滴粒径分布,并运用Rosin-Rammler函数对试验获得的累积粒径分布进行非线性拟合,利用计算流体力学(computational fluid dynamics,CFD)软件对柴油机负荷工况、UWS喷射温度和排气管壁温3种不同因素对UWS喷雾雾化特征、NH3浓度分布及液膜形成的影响进行仿真计算。结果表明:低负荷工况下的排气流量和温度低,UWS喷入量少,尿素液滴分解NH3的速率较低,80 ms时刻NH3主要分布在排气管中游;中高负荷工况,排气温度高、UWS喷入量多,有利于尿素蒸发热解生成NH3,该时刻NH3浓度区域偏离轴线,贴近排气管上表面;喷雾液滴粒径随UWS喷射温度的升高而减小,范围在1~12μm,空间内NH3浓度小幅增加,液膜沉积率随喷射温度升高显著降低;排气管壁温对UWS喷雾液滴粒径和蒸发热解速率影响较大,壁温升高加快了液滴粒径减小的速度,当壁面温度为473K时,150ms时刻下液滴粒径主要集中在30μm以下,附着壁面的液膜厚度明显减小直至消失,尿素结晶问题得以改善。展开更多
基金Project supported by the National Natural Science Foundation of China(Grand Nos.11025524 and 11161130520)the National Basic Research Program of China(Grant No.2010CB832903)the European Commission’s 7th Framework Programme(FP7-PEOPLE-2010-IRSES)(Grant No.269131)
文摘Structural properties of the pure water and halogen solutions at high temperatures and pressures are studied by using the molecular dynamics simulations and quantum molecular simulations. The related characters are calculated as functions of temperature and pressure. The results show that the hydrogen bonded networks become looser as temperature increases,with the collapse of the traditional tetrahedral structure. It is similar to the concentration-dependent collapse in the Na Cl solutions. However, adding other halogen elements has no further effects on the already weakly bonded water molecules.At the phase changing points, the process of hydration is evident for the bigger ions, so that the bigger the ion is, the smaller a cluster is formed.
基金Foundation item： Supported by the National Natural Science Foundation of China （Grant Nos. 11302057, 11302056）, the Fundamental Research Funds for the Central Universities （Grant No. HEUCF140115） and the Research Funds for State Key Laboratory of Ocean Engineering in Shanghai Jiao Tong University （Grant No. 1310）.
文摘This paper presents a review of the work on fluid/structure impact based on inviscid and imcompressible liquid and irrotational flow. The focus is on the velocity potential theory together with boundary element method （BEM）. Fully nonlinear boundary conditions are imposed on the unknown free surface and the wetted surface of the moving body. The review includes （1） vertical and oblique water entry of a body at constant or a prescribed varying speed, as well as free fall motion, （2） liquid droplets or column impact as well as wave impact on a body, （3） similarity solution of an expanding body. It covers two dimensional （2D）, axisymmetric and three dimensional （3D） cases. Key techniques used in the numerical simulation are outlined, including mesh generation on the multivalued free surface, the stretched coordinate system for expanding domain, the auxiliary function method for decoupling the mutual dependence of the pressure and the body motion, and treatment for the jet or the thin liquid film developed during impact.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10847147)the Specialized Research Fund for the Doctoral Program of Higher Education (Grant No. 200800270017)the research foundation of NUIST (Grant No. 20080279)
文摘The researches on the structure of water and its changes induced by solutes are of enduring interests. The changes of the local structure of liquid water induced by NaCl solute under ambient conditions are studied and presented quantitatively with some order parameters and visualized with 2-body and 3-body correlation functions. The results show that, after the NaCl are solvated, the translational order t of water is decreased for the suppression of the second hydration shells around H20 molecules; the tetrahedral order （q） of water is also decreased and its favorite distribution peak moves from 0.76 to 0.5. In addition, the orientational freedom k and the diffusion coefficient D of water molecules are reduced because of new formed hydrogen-bonding structures between water and solvated ions.
