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| 1 | Application of the Clustering Method in Molecular Dynamics Simulation of the Diffusion Coefficient显示文摘Using molecular dynamics (MD) simulation, the diffusion of oxygen, methane, ammonia and carbon dioxide in water was simulated in the canonical NVT ensemble, and the diffusion coefficient was analyzed by the clustering method. By comparing to the conventional method (using the Einstein model) and the differentiation-interval variation method, we found that the results ob- tained by the clustering method used in this study are more close to the experimental values. This method proved to be more reason- able than the other two methods. | LIU Qingzhi HU Yangdong | 2008 | Journal of Ocean University of China2008，7，1： | 4 |
| 2 | The green hydrolysis technology of hemicellulose in corncob by the repeated use of hydrolysate显示文摘To achieve green hydrolysis technology of hemicellulose through repeated using hydrolysate,the hydrolysis of hemicellulose in corncob was studied.The influence of repeated use of corncob hydrolysate on concentrations of D-xylose and L-arabinose was investigated.The loss rates of D-xylose in the prepared D-xylose solutions both with and without corncob,and repeated using corncob hydrolysate under identical acidity condition were discussed.The result shows that D-xylose concentration and L-arabinose concentration are all gradually increasing with the growing time of repeated use of corncob hydrolysate.After the fifth repetition,the concentrations of D-xylose and L-arabinose are 196.7 g·L^(-1)and 22.0 g·L^(-1),respectively.Substance inhibiting the degradation of D-xylose is generated during repeated use of corncob hydrolysate,and the production is further proved by the change of D-xylose concentration and the loss rate of D-xylose over heating time. | Lei Guo Yangdong Hu Lianying Wu Chen Liang Weitao Zhang | 2018 | Chinese Journal of Chemical Engineering2018，26，1： | 2 |
| 3 | A new model in correlating and calculating the solid–liquid equilibrium of salt–water systems显示文摘In this work, a new activity coefficient model was deduced for the correlation of solid–liquid equilibrium(SLE) in electrolyte solutions. The new excess Gibbs energy equation for SLE contains two parts: the single electrolyte item and the mixed electrolyte item. Then a new hypothesis for the reference state of activity coefficients was proposed in the work. Literature data for single electrolyte solution and mixed electrolyte solution systems,with temperature spanning from 273.15 to 373.15 K, were successfully correlated using the developed model. | Xianzhen Xu Yangdong Hu Lianying Wu Xia Chen | 2016 | Chinese Journal of Chemical Engineering2016，24，8： | 2 |
| 4 | Experimental measurement and thermodynamic modeling of binary and ternary solid–liquid phase equilibrium for the systems formed by L-arabinose,D-xylose and water显示文摘Solid–liquid phase equilibrium data for binary(L-arabinose–water) and(D-xylose–water) systems at temperatures from(269.85–298.05) K and ternary(L-arabinose–D-xylose–water) system at temperatures of 273.85 K,278.85 K and 284.45 K were measured at atmospheric pressure.The ternary phase diagrams of the systems were constructed on the base of the measured solubility.Two pure solid phases were formed at given temperatures,including pure L-arabinose and pure D-xylose,which were con firmed and determined by the method of Schreinemakers' wet residue.At the same temperature,the crystallization region of L-arabinose was larger than D-xylose's.The acquired solubility data were then correlated using the NRTL model,Wilson model and Xu model.The calculated solubility with the three models agreed well with the experimental values. | Lei Guo Lianying Wu Weitao Zhang Chen Liang Yangdong Hu | 2017 | Chinese Journal of Chemical Engineering2017，25，10： | 1 |
| 5 | Optimum design of co-generation for power and desalination to satisfy the demand of waterand power 显示文摘 | Wu Lianying Hu Yangdong Gao Congjie | 2013 | Desalination2013，324，： | 1 |
| 6 | Testing and validation of a self-diffusion coefficient model based on molecular dynamics simulations显示文摘In our previous work,we endowed a new physical meaning of self-diffusion coefficient in Fick’s law,which proposed that the diffusion coefficient can be described as the product of the characteristic length and the diffusion velocity.To testify this simple theory,in this work,we further investigated the underlying mechanism of the characteristic length and the diffusion velocity at the molecular level.After a complete dynamic run,the statistical average diffusion velocity and the characteristic length of molecules can be obtained by scripts,and subsequently the diffusion coefficient was determined by our proposed theory.The diffusion processes in 35 systems with a wide range of pressure and concentration variations were simulated using this model.From the simulated results,diffusion coefficients from our new model matched well with the experimental results from literatures.The total average relative deviation of predicted values with respect to the experimental results is 8.18%,indicating that the novel model is objective and rational.Compared with the traditional MSD-t model,this novel diffusion coefficient model provides more reliable results,and the theory is simple and straightforward in concept.Additionally,the effect of gas pressure and liquid concentration on the diffusion behavior were discussed,and the microscopic diffusion mechanism was elucidated through the distribution of diffusion velocity and the characteristic length analysis.Moreover,we suggested new distribution functions,providing more reliable data theoretical foundations for the future research about the diffusion coefficient. | Xia Chen Yan Wang Lianying Wu Weitao Zhang Yangdong Hu | 2021 | Chinese Journal of Chemical Engineering2021，34，8： | 1 |
| 7 | A novel model for multi-plant mixed heavy crude oils refinery planning显示文摘In this paper, multi-refinery using the same heavy crude oils as raw materials is studied, while a new nonlinear model for mixed heavy crude distillation is proposed. In practical crude distillation operation, the distillate yield and product distribution of distillation units are different due to their various equipment and operating parameters, even the same ratio of raw materials is provided, so different process models for multi-refinery planning is therefore required. For process modeling, the relationships between total yields and mixing ratio of different refineries were determined, which is combined with process simulation using production data. Then,the yields and properties of crude distillation unit(CDU) fractions were calculated with the use of true boiling point(TBP) curves and property curves respectively when the initial cutting temperatures were given. Finally,in order to maximize the economic benefit of distillation, the optimal product distribution and the best mixing ratio of crude oil were calculated under the constraints of different properties of fractions. Comparing to previous models, the proposed model takes the influence of different refinery parameters on production process into account, while avoiding the complex process for determining the cutting points, which is considered more efficient and more accurate with respect to heavy crude refinery. Model was successfully verified by a case study,allowing a significant improvement of the refinery profit to be achieved. | Xiaoqiao Huang Yangdong Hu Lijuan Song Yuzhen Zhang Dongkui Chen | 2017 | Chinese Journal of Chemical Engineering2017，25，2： | 0 |
| 8 | Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation显示文摘Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions. | SUN Wenting HU Yangdong ZHENG Jiahuan SUN Qichao Chen Xia DING Jiakun ZHANG Weitao WU Lianying | 2024 | Journal of Ocean University of China2024，23，2： | 0 |
| 9 | Optimized Design of Spacer in Electrodialyzer Using CFD Simulation Method显示文摘In this study, the effects of length-width ratio and diversion trench of the spacer on the fluid flow behavior in an electrodialyzer have been investigated through CFD simulation method. The relevant information, including the pressure drop, velocity vector distribution and shear stress distribution, demonstrates the importance of optimized design of the spacer in an electrodialysis process. The results show width of the diversion trench has a great effect on the fluid flow compared with length. Increase of the diversion trench width could strength the fluid flow, but also increase the pressure drop. Secondly, the dead zone of the fluid flow decreases with increase of length-width ratio of the spacer, but the pressure drop increases with the increase of length-width ratio of the spacer. So the appropriate length-width ratio of the space should be moderate. | JIA Yuxiang YAN Chunsheng CHEN Lijun HU Yangdong | 2018 | Journal of Ocean University of China2018，17，3： | 0 |
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