One of the difficulties frequently encountered in water quality assessment is that there are many factors and they cannot be assessed according to one factor, all the effect factors associated with water quality must ...One of the difficulties frequently encountered in water quality assessment is that there are many factors and they cannot be assessed according to one factor, all the effect factors associated with water quality must be used. In order to overcome this issues the projection pursuit principle is introduced into water quality assessment, and projection pursuit cluster(PPC) model is developed in this study. The PPC model makes the transition from high dimension to one-dimension. In other words, based on the PPC model, multifactor problem can be converted to one factor problem. The application of PPC model can be divided into four parts: (1) to estimate projection index function Q(); (2) to find the right projection direction ; (3) to calculate projection characteristic value of the i th sample z-i, and (4) to draw comprehensive analysis on the basis of z-i. On the other hand, the empirical formula of cutoff radius R is developed, which is benefit for the model to be used in practice. Finally, a case study of water quality assessment is proposed in this paper. The results showed that the PPC model is reasonable, and it is more objective and less subjective in water quality assessment. It is a new method for multivariate problem comprehensive analysis.展开更多
Based on quantum chemical calculations, TLSER model(theoretical linear solvation energy relationships) and atomic charge approach were applied to model the partition properties(water solubility and octanol/water parti...Based on quantum chemical calculations, TLSER model(theoretical linear solvation energy relationships) and atomic charge approach were applied to model the partition properties(water solubility and octanol/water partition coefficient) of 96 aromatic sulfur-containing carboxylates, including phenylthio, phenylsulfinyl and phenylsulfonyl carboxylates. In comparison with TLSER models, the atomic charge models are more accurate and reliable to predict the partition properties of the kind of compounds. For the atomic charge models, the molecular descriptors are molecular surface area(S), molecular shape(O), weight(M W), net charges on carboxyl group(Q OC), net charges of nitrogen atoms(Q N), and the most negative atomic charge(q -) of the solute molecule. For water solubility(log S W) and octanol/water partition coefficient(log K OW), the correction coefficients r 2 adj(adjusted for degrees of freedom) are 0.936 and 0.938, and the standard deviations are 0.364 and 0.223, respectively.展开更多
A case study is introduced and discussed concerning water dispute of misuse and pollution between up\| and down\|stream parts. The relations between water usage and local industrial structures are analyzed. Results sh...A case study is introduced and discussed concerning water dispute of misuse and pollution between up\| and down\|stream parts. The relations between water usage and local industrial structures are analyzed. Results show it is important to change industrial structures of the target region along with controlling water pollution by technical and engineering methods. Three manners of upstream-downstream cooperation are presented and discussed based on the actual conditions of Guangting Reservoir watershed. Two typical scenarios are supposed and studied along with the local plan on water resources development. The best solution for this cooperation presents a good way to help the upstream developing in a new pattern of eco-economy.展开更多
The planar 2D k-ε double equations' turbulence model was adopted and transformed into non-orthogonal curvilinear coordinates. The concentration convection-diffusion was introduced to planar 2D SIMPLEC algorithm o...The planar 2D k-ε double equations' turbulence model was adopted and transformed into non-orthogonal curvilinear coordinates. The concentration convection-diffusion was introduced to planar 2D SIMPLEC algorithm of flow in non-orthogonal curvilinear coordinates. The numerical model of pollutant transportation in non-orthogonal curvilinear coordinates was constructed. The model was applied to simulate the flow and pollutant concentration fields. In the testing concentration field, two optimal operations of contamination discharging both along bank and in the centerline at the first bend of the meandering channel were adopted. Comparison with available data showed the model developed was successful, was valuable to engineering application.展开更多
Employing remote sensing method to interpret the building volumetric ratio and aerosol status in Guangzhou, China. The relation between them and identified characteristics of their spatial distribution was analyzed. R...Employing remote sensing method to interpret the building volumetric ratio and aerosol status in Guangzhou, China. The relation between them and identified characteristics of their spatial distribution was analyzed. Results showed that building density and aerosol status are strongly correlated. It is indicated that the resistance of building to aerosol diffusing is one of factors influencing air pollution in urban area. On the basis of calculated results, building voluminous ratio of 5 6 is taken as the threshold impacting on aerosol diffusing, so the building voluminous ratio of Guangzhou should be limited to less than 5 6 in order to alleviate air pollution.展开更多
文摘One of the difficulties frequently encountered in water quality assessment is that there are many factors and they cannot be assessed according to one factor, all the effect factors associated with water quality must be used. In order to overcome this issues the projection pursuit principle is introduced into water quality assessment, and projection pursuit cluster(PPC) model is developed in this study. The PPC model makes the transition from high dimension to one-dimension. In other words, based on the PPC model, multifactor problem can be converted to one factor problem. The application of PPC model can be divided into four parts: (1) to estimate projection index function Q(); (2) to find the right projection direction ; (3) to calculate projection characteristic value of the i th sample z-i, and (4) to draw comprehensive analysis on the basis of z-i. On the other hand, the empirical formula of cutoff radius R is developed, which is benefit for the model to be used in practice. Finally, a case study of water quality assessment is proposed in this paper. The results showed that the PPC model is reasonable, and it is more objective and less subjective in water quality assessment. It is a new method for multivariate problem comprehensive analysis.
文摘Based on quantum chemical calculations, TLSER model(theoretical linear solvation energy relationships) and atomic charge approach were applied to model the partition properties(water solubility and octanol/water partition coefficient) of 96 aromatic sulfur-containing carboxylates, including phenylthio, phenylsulfinyl and phenylsulfonyl carboxylates. In comparison with TLSER models, the atomic charge models are more accurate and reliable to predict the partition properties of the kind of compounds. For the atomic charge models, the molecular descriptors are molecular surface area(S), molecular shape(O), weight(M W), net charges on carboxyl group(Q OC), net charges of nitrogen atoms(Q N), and the most negative atomic charge(q -) of the solute molecule. For water solubility(log S W) and octanol/water partition coefficient(log K OW), the correction coefficients r 2 adj(adjusted for degrees of freedom) are 0.936 and 0.938, and the standard deviations are 0.364 and 0.223, respectively.
文摘A case study is introduced and discussed concerning water dispute of misuse and pollution between up\| and down\|stream parts. The relations between water usage and local industrial structures are analyzed. Results show it is important to change industrial structures of the target region along with controlling water pollution by technical and engineering methods. Three manners of upstream-downstream cooperation are presented and discussed based on the actual conditions of Guangting Reservoir watershed. Two typical scenarios are supposed and studied along with the local plan on water resources development. The best solution for this cooperation presents a good way to help the upstream developing in a new pattern of eco-economy.
文摘The planar 2D k-ε double equations' turbulence model was adopted and transformed into non-orthogonal curvilinear coordinates. The concentration convection-diffusion was introduced to planar 2D SIMPLEC algorithm of flow in non-orthogonal curvilinear coordinates. The numerical model of pollutant transportation in non-orthogonal curvilinear coordinates was constructed. The model was applied to simulate the flow and pollutant concentration fields. In the testing concentration field, two optimal operations of contamination discharging both along bank and in the centerline at the first bend of the meandering channel were adopted. Comparison with available data showed the model developed was successful, was valuable to engineering application.
文摘Employing remote sensing method to interpret the building volumetric ratio and aerosol status in Guangzhou, China. The relation between them and identified characteristics of their spatial distribution was analyzed. Results showed that building density and aerosol status are strongly correlated. It is indicated that the resistance of building to aerosol diffusing is one of factors influencing air pollution in urban area. On the basis of calculated results, building voluminous ratio of 5 6 is taken as the threshold impacting on aerosol diffusing, so the building voluminous ratio of Guangzhou should be limited to less than 5 6 in order to alleviate air pollution.