A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified c'2 -εc' two equatio...A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified c'2 -εc' two equations formulation for closing the differential turbulent mass transfer equation with improvement by considering the vapor injected from the sieve hole to be three dimensional. The predicted concentration distributions by using proposed model were checked by experimental work conducted on a sieve tray simulator of 1.2 meters in diameter for desorbing the dissolved oxygen in the feed water by blowing air. The model predictions were confirmed by the experimental measurement. The validation of the proposed model was further tested by comparing the simulated result with the performance of an industrial scale sieve tray distillation column reported by Kunesh et al. for the stripping of toluene from its water solution. The predicted outlet concentration of each tray and the Murphree tray efficiencies under different operating conditions were in agreement with the published data. The simulated turbulent mass transfer diffusivity on each tray was within the range of the experimental result in the same sieve column reported by Cai et al. In addition, the prediction of the influence of sieve tray structure on the tray efficiency by using the proposed model was demonstrated.展开更多
The comparative study between unsteady flow models in alluvial streams shows a chaotic residue as for the choices of a forecasting model. The difficulty resides in the choice of the expressions of friction resistance ...The comparative study between unsteady flow models in alluvial streams shows a chaotic residue as for the choices of a forecasting model. The difficulty resides in the choice of the expressions of friction resistance and sediment transport. Three types of mathematical models were selected. Models of type one and two are fairly general, but require a considerable number of boundary conditions, which related to each size range of sediments. It can be a handicap during rivers studies which are not very well followed in terms of experimental measurements. Also, the use of complex models is not always founded. But then, the model of type three requires a limited number of boundary conditions and solves only a system of three equations at each time step. It allows a considerable saving in calculating times.展开更多
This study aims to predict ground surface settlement due to shallow tunneling and introduce the most affecting parameters on this phenomenon.Based on data collected from Shanghai LRT Line 2 project undertaken by TBM-E...This study aims to predict ground surface settlement due to shallow tunneling and introduce the most affecting parameters on this phenomenon.Based on data collected from Shanghai LRT Line 2 project undertaken by TBM-EPB method,this research has considered the tunnel's geometric,strength,and operational factors as the dependent variables.At first,multiple regression(MR) method was used to propose equations based on various parameters.The results indicated the dependency of surface settlement on many parameters so that the interactions among different parameters make it impossible to use MR method as it leads to equations of poor accuracy.As such,adaptive neuro-fuzzy inference system(ANFIS),was used to evaluate its capabilities in terms of predicting surface settlement.Among generated ANFIS models,the model with all input parameters considered produced the best prediction,so as its associated R^2 in the test phase was obtained to be 0.957.The equations and models in which operational factors were taken into consideration gave better prediction results indicating larger relative effect of such factors.For sensitivity analysis of ANFIS model,cosine amplitude method(CAM) was employed; among other dependent variables,fill factor of grouting(n) and grouting pressure(P) were identified as the most affecting parameters.展开更多
A computational study of soot formation in ethylene/air coflow jet diffusion flame at atmospheric pres-sure was conducted using a reduced mechanism and soot formation model. A 20-step mechanism was derived from the fu...A computational study of soot formation in ethylene/air coflow jet diffusion flame at atmospheric pres-sure was conducted using a reduced mechanism and soot formation model. A 20-step mechanism was derived from the full mechanism using sensitivity analysis,reaction path analysis and quasi steady state(QSS) approximation. The model in premixed flame was validated and with computing savings in diffusion flame was applied by incor-porating into a CFD code. Simulations were performed to explore the effect of coflow air on flame structure and soot formation. Thermal radiation was calculated by a discrete-ordinates method,and soot formation was predicted by a simple two-equation soot model. Model results are in good agreement with those from experiment data and detailed mechanism at atmospheric conditions. The soot nucleation,growth,and oxidation by OH are all enhanced by decrease in coflow air velocity. The peak soot volume fraction region appears in the lower annular region be-tween the peak flame temperature and peak acetylene concentration locations,and the high soot oxidation rate due to the OH attack occurs in the middle annular region because of high temperature.展开更多
High Frequency(HF) radar current data is assimilated into a shelf sea circulation model based on optimal interpolation(OI) method. The purpose of this work is to develop a real-time computationally highly efficient as...High Frequency(HF) radar current data is assimilated into a shelf sea circulation model based on optimal interpolation(OI) method. The purpose of this work is to develop a real-time computationally highly efficient assimilation method to improve the forecast of shelf current. Since the true state of the ocean is not known, the specification of background error covariance is arduous. Usually, it is assumed or calculated from an ensemble of model states and is kept in constant. In our method, the spatial covariances of model forecast errors are derived from differences between the adjacent model forecast fields, which serve as the forecast tendencies. The assumption behind this is that forecast errors can resemble forecast tendencies, since variances are large when fields change quickly and small when fields change slowly. The implementation of HF radar data assimilation is found to yield good information for analyses. After assimilation, the root-mean-square error of model decreases significantly. Besides, three assimilation runs with variational observation density are implemented. The comparison of them indicates that the pattern described by observations is much more important than the amount of observations. It is more useful to expand the scope of observations than to increase the spatial interval. From our tests, the spatial interval of observation can be 5 times bigger than that of model grid.展开更多
In order to minimize the harm caused by the instability of a planing craft, a motion prediction model is essential. This paper analyzed the feasibility of using an MGM(1,N) model in grey system theory to predict pla...In order to minimize the harm caused by the instability of a planing craft, a motion prediction model is essential. This paper analyzed the feasibility of using an MGM(1,N) model in grey system theory to predict planing craft motion and carried out the numerical simulation experiment. According to the characteristics of planing craft motion, a recurrence formula was proposed of the parameter matrix of an MGMfl,N) model. Using this formula, data can be updated in real-time without increasing computational complexity significantly. The results of numerical simulation show that using an MGM(1,N) model to predict planing motion is feasible and useful for prediction. So the method proposed in this study can reflect the planing craft motion mechanism successfully, and has rational and effective functions of forecasting and analyzing trends.展开更多
Purpose: The purpose of this study was to develop and validate a method that would facilitate immediate feedback on linear hammer speed during training. Methods: Three-dimensional hammer head positional data were me...Purpose: The purpose of this study was to develop and validate a method that would facilitate immediate feedback on linear hammer speed during training. Methods: Three-dimensional hammer head positional data were measured and used to calculate linear speed (calculated speed) and cable force. These data were used to develop two linear regression models (shifted and non-shifted) that would allow prediction of hammer speed from measured cable force data (predicted speed). The accuracy of the two models was assessed by comparing the predicted and calculated speeds. Averages of the coefficient of multiple correlation (CMC) and the root mean square (RMS) of the difference between the predicted and calculated speeds for each throw of each participant were used to assess the level of accuracy of the predicted speeds. Results: Both regression models had high CMC values (0.96 and 0.97) and relatively low RMS values (1.27 m/s and 1.05 m/s) for the non-shifted and shifted models, respectively. In addition, the average percentage differences between the predicted and calculated speeds were 6.6% and 4.7% for the non-shifted and shifted models, respectively. The RMS differences between release speeds attained via the two regression models and those attained via three-dimensional positional data were also computed. The RMS differences between the predicted and calculated release speeds were 0.69 m/s and 0.46 m/s for the non-shifted and shifted models, respectively. Conclusion: This study successfully derived and validated a method that allows prediction of linear hammer speed from directly measured cable force data. Two linear regression models were developed and it was found that either model would be capable of predicting accurate speeds. However, data predicted using the shifted regression model were more accurate.展开更多
In Wireless Sensor Networks (WSNs), it is necessary to predict computational overheads of security mechanisms without final implementations to provide guidelines for system design. This paper presents an accurate and ...In Wireless Sensor Networks (WSNs), it is necessary to predict computational overheads of security mechanisms without final implementations to provide guidelines for system design. This paper presents an accurate and flexible model to predict overheads of these mechanisms. This model is based on overheads of basic operations frequently used in cryptography algorithms, which are essential elements of security mechanisms. Several popular cryptography algorithms and security mechanisms are evaluated using this model. According to simulation results, relative prediction errors are less than 7% for most cryptography algorithms and security mechanisms.展开更多
This study was conducted to establish a predictable method for a heat load of an underground structure with sufficient accuracy. As the first step, our previous paper reported the measurement results of field experime...This study was conducted to establish a predictable method for a heat load of an underground structure with sufficient accuracy. As the first step, our previous paper reported the measurement results of field experiments on an underground experimental basement under internal heat generation conditions. Also, it presented the results of numerical analyses on the heat and moisture behavior and the influence of internal heat generation of the experimental basement and ground. However, it is practically impossible to utilize the model of simultaneous heat and moisture transfer at the design phase because the prediction by the model of simultaneous heat and moisture transfer requires a long calculation time. In this paper, the authors present the simple load calculation technique, using a linearized approximation indicial response of the inner surface heat flux in a basement to outdoor air temperature change. In addition, the approximation indicial responses for each part of the single-walled concrete drawn using this technique are arranged. The heat load calculation example of application to the basement of the optional size by this technique is shown.展开更多
Studying the interaction of components is basic for a railroad project, which is also very important for creating maintenance procedures based on predictions from a model that assumes adequate performance. To determin...Studying the interaction of components is basic for a railroad project, which is also very important for creating maintenance procedures based on predictions from a model that assumes adequate performance. To determine these interactions, which can have a great number of combinations, the use of a computational model is of vital importance, in this case, the program FERROVIA 1.0 (RAILROAD 1.0) was used. A critical study developed the program FERROVIA 1.0, and its variables were characterized based on values observed in the literature. After initial characterization was carried out, a comparative study was performed on the sensitivity between these variables and the indications of significant behavior for a railway deformed by the known load of a wheel. A statistical program was used to correlate the elements. The intention was to launch the program FERROVIA 1.0 and later use it for 2,187 combinations. The data used in these correlations corresponded to the normal values for the elements used in railroad engineering practice. Our main goal is to understand the behavior of the track vertical deflection according to the variation of the scaling of the various elements of the railway,展开更多
The mesoscopic modeling developed rapidly in the past three decades is a promising tool for predicting and understanding the microstructure evolution at grain scale.In this paper,the recent development of mesoscopic m...The mesoscopic modeling developed rapidly in the past three decades is a promising tool for predicting and understanding the microstructure evolution at grain scale.In this paper,the recent development of mesoscopic modeling and its application to microstructure evolution in steels is reviewed.Firstly,some representative computational models are briefly introduced,e.g.,the phase field model,the cellular automaton model and the Monte Carlo model.Then,the emphasis is put on the application of mesoscopic modeling of the complex features of microstructure evolution,including solidification,solid-state phase transformation,recrystallization and grain growth.Finally,some issues in the present mesoscopic modeling and its perspective are discussed.展开更多
Bispyribac is a widely used herbicide that targets the acetohydroxyacid synthase (AHAS) enzyme. Mutations in AHAS have caused serious herbicide resistance that threatened the continued use of the herbicide. So far, ...Bispyribac is a widely used herbicide that targets the acetohydroxyacid synthase (AHAS) enzyme. Mutations in AHAS have caused serious herbicide resistance that threatened the continued use of the herbicide. So far, a unified model to decipher herb- icide resistance in molecular level with good prediction is still lacking. In this paper, we have established a new QSAR method to construct a prediction model for AHAS mutation resistance to herbicide Bispyribac. A series of AHAS mutants concerned with the herbicide resistance were constructed, and the inhibitory properties of Bispyribac against these mutants were meas- ured. The 3D-QSAR method has been transformed to process the AHAS mutants and proposed as mutation-dependent biom- acromolecular QSAR (MB-QSAR). The excellent correlation between experimental and computational data gave the MB-QSAR/CoMFA model (q2 = 0.615, P = 0.921, F2pred = 0.598) and the MB-QSAR/CoMSIA model (q2 = 0.446, r2 = 0.929, r2pred = 0.612), which showed good prediction for the inhibition properties of Bispyribac against AHAS mutants. Such MB-QSAR models, containing the three-dimensional molecular interaction diagram, not only disclose to us for the first time the detailed three-dimensional information about the structure-resistance relationships, but may also provide further guidance to resistance mutation evolution. Also, the molecular interaction diagram derived from MB-QSAR models may aid the resistance-evading herbicide design.展开更多
A loss model for the mixed-flow pump impellers was developed by summarizing a variety of loss calculation formulas systematically.The internal flow field of the impeller was obtained by employing the iterative calcula...A loss model for the mixed-flow pump impellers was developed by summarizing a variety of loss calculation formulas systematically.The internal flow field of the impeller was obtained by employing the iterative calculation for S 1 and S 2 stream surfaces to solve the continuity and motion equations of fluid.Based on the calculation method of the flow field and the loss model,it is achieved to predict the impeller performance of the mixed-flow pump and the performance curves of a mixed-flow pump model with adjustable blades.Compared with the test data,the loss model of the mixed-flow pump based on the iterative calculation can predict the impeller performance quickly and accurately,which has a high value on the engineering applications.Based on the test verification,curves of various kinds of losses varied for the flow rate were analyzed under different blade angles.In addition,the mechanisms of various kinds of losses inside the mixed-flow pump impeller were discussed in-depth.展开更多
In this work, the prediction of wear for revolute joint with clearance in multibody systems is investigated using a computational methodology. The contact model in clearance joint is established using a new hybrid non...In this work, the prediction of wear for revolute joint with clearance in multibody systems is investigated using a computational methodology. The contact model in clearance joint is established using a new hybrid nonlinear contact force model and the friction effect is considered by using a modified Coulomb friction model. The dynamics model of multibody system with clearance is established using dynamic segmentation modeling method and the computational process for wear analysis of clearance joint in multibody systems is presented. The main computational process for wear analysis of clearance joint includes two steps, which are dynamics analysis and wear analysis. The dynamics simulation of multibody system with revolute clearance joint is carried out and the contact forces are drawn and used to calculate the wear amount of revolute clearance joint based on the Archard's wear model. Finally, a four-bar multibody mechanical system with revolute clearance joint is used as numerical example application to perform the simulation and show the dynamics responses and wear characteristics of multibody systems with revolute clearance joint. The main results of this work indicate that the contact between the joint elements is wider and more frequent in some specific regions and the wear phenomenon is not regular around the joint surface, which causes the clearance size increase non-regularly after clearance joint wear. This work presents an effective method to predict wear of revolute joint with clearance in multibody systems.展开更多
基金Supported by the National lqatural Science Foundation of China (20736005).
文摘A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified c'2 -εc' two equations formulation for closing the differential turbulent mass transfer equation with improvement by considering the vapor injected from the sieve hole to be three dimensional. The predicted concentration distributions by using proposed model were checked by experimental work conducted on a sieve tray simulator of 1.2 meters in diameter for desorbing the dissolved oxygen in the feed water by blowing air. The model predictions were confirmed by the experimental measurement. The validation of the proposed model was further tested by comparing the simulated result with the performance of an industrial scale sieve tray distillation column reported by Kunesh et al. for the stripping of toluene from its water solution. The predicted outlet concentration of each tray and the Murphree tray efficiencies under different operating conditions were in agreement with the published data. The simulated turbulent mass transfer diffusivity on each tray was within the range of the experimental result in the same sieve column reported by Cai et al. In addition, the prediction of the influence of sieve tray structure on the tray efficiency by using the proposed model was demonstrated.
文摘The comparative study between unsteady flow models in alluvial streams shows a chaotic residue as for the choices of a forecasting model. The difficulty resides in the choice of the expressions of friction resistance and sediment transport. Three types of mathematical models were selected. Models of type one and two are fairly general, but require a considerable number of boundary conditions, which related to each size range of sediments. It can be a handicap during rivers studies which are not very well followed in terms of experimental measurements. Also, the use of complex models is not always founded. But then, the model of type three requires a limited number of boundary conditions and solves only a system of three equations at each time step. It allows a considerable saving in calculating times.
文摘This study aims to predict ground surface settlement due to shallow tunneling and introduce the most affecting parameters on this phenomenon.Based on data collected from Shanghai LRT Line 2 project undertaken by TBM-EPB method,this research has considered the tunnel's geometric,strength,and operational factors as the dependent variables.At first,multiple regression(MR) method was used to propose equations based on various parameters.The results indicated the dependency of surface settlement on many parameters so that the interactions among different parameters make it impossible to use MR method as it leads to equations of poor accuracy.As such,adaptive neuro-fuzzy inference system(ANFIS),was used to evaluate its capabilities in terms of predicting surface settlement.Among generated ANFIS models,the model with all input parameters considered produced the best prediction,so as its associated R^2 in the test phase was obtained to be 0.957.The equations and models in which operational factors were taken into consideration gave better prediction results indicating larger relative effect of such factors.For sensitivity analysis of ANFIS model,cosine amplitude method(CAM) was employed; among other dependent variables,fill factor of grouting(n) and grouting pressure(P) were identified as the most affecting parameters.
基金Supported by the National Natural Science Foundation of China(50806023 50721005 50806024) Program of Introducing Talents of Discipline to Universities of China(“111” Project B06019)
文摘A computational study of soot formation in ethylene/air coflow jet diffusion flame at atmospheric pres-sure was conducted using a reduced mechanism and soot formation model. A 20-step mechanism was derived from the full mechanism using sensitivity analysis,reaction path analysis and quasi steady state(QSS) approximation. The model in premixed flame was validated and with computing savings in diffusion flame was applied by incor-porating into a CFD code. Simulations were performed to explore the effect of coflow air on flame structure and soot formation. Thermal radiation was calculated by a discrete-ordinates method,and soot formation was predicted by a simple two-equation soot model. Model results are in good agreement with those from experiment data and detailed mechanism at atmospheric conditions. The soot nucleation,growth,and oxidation by OH are all enhanced by decrease in coflow air velocity. The peak soot volume fraction region appears in the lower annular region be-tween the peak flame temperature and peak acetylene concentration locations,and the high soot oxidation rate due to the OH attack occurs in the middle annular region because of high temperature.
基金supported by the State Oceanic Administration Young Marine Science Foundation (No. 2013201)the Shandong Provincial Key Laboratory of Marine Ecology and Environment & Disaster Prevention and Mitigation Foundation (No. 2012007)+1 种基金the Marine Public Foundation (No. 201005018)the North China Sea Branch Scientific Foundation (No. 2014B10)
文摘High Frequency(HF) radar current data is assimilated into a shelf sea circulation model based on optimal interpolation(OI) method. The purpose of this work is to develop a real-time computationally highly efficient assimilation method to improve the forecast of shelf current. Since the true state of the ocean is not known, the specification of background error covariance is arduous. Usually, it is assumed or calculated from an ensemble of model states and is kept in constant. In our method, the spatial covariances of model forecast errors are derived from differences between the adjacent model forecast fields, which serve as the forecast tendencies. The assumption behind this is that forecast errors can resemble forecast tendencies, since variances are large when fields change quickly and small when fields change slowly. The implementation of HF radar data assimilation is found to yield good information for analyses. After assimilation, the root-mean-square error of model decreases significantly. Besides, three assimilation runs with variational observation density are implemented. The comparison of them indicates that the pattern described by observations is much more important than the amount of observations. It is more useful to expand the scope of observations than to increase the spatial interval. From our tests, the spatial interval of observation can be 5 times bigger than that of model grid.
基金Supported by the Foundation of State Key Laboratory of Autonomous Underwater Vehicle, Harbin Engineering Universitythe Fundamental Research Funds for the Central Universities (HEUCFL20101113)
文摘In order to minimize the harm caused by the instability of a planing craft, a motion prediction model is essential. This paper analyzed the feasibility of using an MGM(1,N) model in grey system theory to predict planing craft motion and carried out the numerical simulation experiment. According to the characteristics of planing craft motion, a recurrence formula was proposed of the parameter matrix of an MGMfl,N) model. Using this formula, data can be updated in real-time without increasing computational complexity significantly. The results of numerical simulation show that using an MGM(1,N) model to predict planing motion is feasible and useful for prediction. So the method proposed in this study can reflect the planing craft motion mechanism successfully, and has rational and effective functions of forecasting and analyzing trends.
文摘Purpose: The purpose of this study was to develop and validate a method that would facilitate immediate feedback on linear hammer speed during training. Methods: Three-dimensional hammer head positional data were measured and used to calculate linear speed (calculated speed) and cable force. These data were used to develop two linear regression models (shifted and non-shifted) that would allow prediction of hammer speed from measured cable force data (predicted speed). The accuracy of the two models was assessed by comparing the predicted and calculated speeds. Averages of the coefficient of multiple correlation (CMC) and the root mean square (RMS) of the difference between the predicted and calculated speeds for each throw of each participant were used to assess the level of accuracy of the predicted speeds. Results: Both regression models had high CMC values (0.96 and 0.97) and relatively low RMS values (1.27 m/s and 1.05 m/s) for the non-shifted and shifted models, respectively. In addition, the average percentage differences between the predicted and calculated speeds were 6.6% and 4.7% for the non-shifted and shifted models, respectively. The RMS differences between release speeds attained via the two regression models and those attained via three-dimensional positional data were also computed. The RMS differences between the predicted and calculated release speeds were 0.69 m/s and 0.46 m/s for the non-shifted and shifted models, respectively. Conclusion: This study successfully derived and validated a method that allows prediction of linear hammer speed from directly measured cable force data. Two linear regression models were developed and it was found that either model would be capable of predicting accurate speeds. However, data predicted using the shifted regression model were more accurate.
基金Supported by 863 Project of China (No.2006AA01Z224)
文摘In Wireless Sensor Networks (WSNs), it is necessary to predict computational overheads of security mechanisms without final implementations to provide guidelines for system design. This paper presents an accurate and flexible model to predict overheads of these mechanisms. This model is based on overheads of basic operations frequently used in cryptography algorithms, which are essential elements of security mechanisms. Several popular cryptography algorithms and security mechanisms are evaluated using this model. According to simulation results, relative prediction errors are less than 7% for most cryptography algorithms and security mechanisms.
文摘This study was conducted to establish a predictable method for a heat load of an underground structure with sufficient accuracy. As the first step, our previous paper reported the measurement results of field experiments on an underground experimental basement under internal heat generation conditions. Also, it presented the results of numerical analyses on the heat and moisture behavior and the influence of internal heat generation of the experimental basement and ground. However, it is practically impossible to utilize the model of simultaneous heat and moisture transfer at the design phase because the prediction by the model of simultaneous heat and moisture transfer requires a long calculation time. In this paper, the authors present the simple load calculation technique, using a linearized approximation indicial response of the inner surface heat flux in a basement to outdoor air temperature change. In addition, the approximation indicial responses for each part of the single-walled concrete drawn using this technique are arranged. The heat load calculation example of application to the basement of the optional size by this technique is shown.
文摘Studying the interaction of components is basic for a railroad project, which is also very important for creating maintenance procedures based on predictions from a model that assumes adequate performance. To determine these interactions, which can have a great number of combinations, the use of a computational model is of vital importance, in this case, the program FERROVIA 1.0 (RAILROAD 1.0) was used. A critical study developed the program FERROVIA 1.0, and its variables were characterized based on values observed in the literature. After initial characterization was carried out, a comparative study was performed on the sensitivity between these variables and the indications of significant behavior for a railway deformed by the known load of a wheel. A statistical program was used to correlate the elements. The intention was to launch the program FERROVIA 1.0 and later use it for 2,187 combinations. The data used in these correlations corresponded to the normal values for the elements used in railroad engineering practice. Our main goal is to understand the behavior of the track vertical deflection according to the variation of the scaling of the various elements of the railway,
基金supported by the National Natural Science Foundation of China (Grant Nos. 50871109 and 51001096)
文摘The mesoscopic modeling developed rapidly in the past three decades is a promising tool for predicting and understanding the microstructure evolution at grain scale.In this paper,the recent development of mesoscopic modeling and its application to microstructure evolution in steels is reviewed.Firstly,some representative computational models are briefly introduced,e.g.,the phase field model,the cellular automaton model and the Monte Carlo model.Then,the emphasis is put on the application of mesoscopic modeling of the complex features of microstructure evolution,including solidification,solid-state phase transformation,recrystallization and grain growth.Finally,some issues in the present mesoscopic modeling and its perspective are discussed.
文摘Bispyribac is a widely used herbicide that targets the acetohydroxyacid synthase (AHAS) enzyme. Mutations in AHAS have caused serious herbicide resistance that threatened the continued use of the herbicide. So far, a unified model to decipher herb- icide resistance in molecular level with good prediction is still lacking. In this paper, we have established a new QSAR method to construct a prediction model for AHAS mutation resistance to herbicide Bispyribac. A series of AHAS mutants concerned with the herbicide resistance were constructed, and the inhibitory properties of Bispyribac against these mutants were meas- ured. The 3D-QSAR method has been transformed to process the AHAS mutants and proposed as mutation-dependent biom- acromolecular QSAR (MB-QSAR). The excellent correlation between experimental and computational data gave the MB-QSAR/CoMFA model (q2 = 0.615, P = 0.921, F2pred = 0.598) and the MB-QSAR/CoMSIA model (q2 = 0.446, r2 = 0.929, r2pred = 0.612), which showed good prediction for the inhibition properties of Bispyribac against AHAS mutants. Such MB-QSAR models, containing the three-dimensional molecular interaction diagram, not only disclose to us for the first time the detailed three-dimensional information about the structure-resistance relationships, but may also provide further guidance to resistance mutation evolution. Also, the molecular interaction diagram derived from MB-QSAR models may aid the resistance-evading herbicide design.
基金supported by the National Natural Science Foundation of China (Grant No. 51176088)the Open Research Foundation of State Key Laboratory of Hydroscience and Engineering of Tsinghua University(Grant No. 2009T3)
文摘A loss model for the mixed-flow pump impellers was developed by summarizing a variety of loss calculation formulas systematically.The internal flow field of the impeller was obtained by employing the iterative calculation for S 1 and S 2 stream surfaces to solve the continuity and motion equations of fluid.Based on the calculation method of the flow field and the loss model,it is achieved to predict the impeller performance of the mixed-flow pump and the performance curves of a mixed-flow pump model with adjustable blades.Compared with the test data,the loss model of the mixed-flow pump based on the iterative calculation can predict the impeller performance quickly and accurately,which has a high value on the engineering applications.Based on the test verification,curves of various kinds of losses varied for the flow rate were analyzed under different blade angles.In addition,the mechanisms of various kinds of losses inside the mixed-flow pump impeller were discussed in-depth.
基金the National Natural Science Foundation of China (Grant Nos. 50975056 and 11072066)the Scientific Research Foundation of Harbin Institute of Technology at Weihai (Grant No. HIT(WH)XB201120)the Fundamental Research Funds for the Central Universities (Grant No. HIT.NSRIF.2013122)
文摘In this work, the prediction of wear for revolute joint with clearance in multibody systems is investigated using a computational methodology. The contact model in clearance joint is established using a new hybrid nonlinear contact force model and the friction effect is considered by using a modified Coulomb friction model. The dynamics model of multibody system with clearance is established using dynamic segmentation modeling method and the computational process for wear analysis of clearance joint in multibody systems is presented. The main computational process for wear analysis of clearance joint includes two steps, which are dynamics analysis and wear analysis. The dynamics simulation of multibody system with revolute clearance joint is carried out and the contact forces are drawn and used to calculate the wear amount of revolute clearance joint based on the Archard's wear model. Finally, a four-bar multibody mechanical system with revolute clearance joint is used as numerical example application to perform the simulation and show the dynamics responses and wear characteristics of multibody systems with revolute clearance joint. The main results of this work indicate that the contact between the joint elements is wider and more frequent in some specific regions and the wear phenomenon is not regular around the joint surface, which causes the clearance size increase non-regularly after clearance joint wear. This work presents an effective method to predict wear of revolute joint with clearance in multibody systems.