Some polarity terms of two groups of nitrogen-containing surfactants （six alkanolamides and nine polyoxyethylenated long chain amines） are measured through gas chromatography. The apparent methanol carbon number (CM...Some polarity terms of two groups of nitrogen-containing surfactants （six alkanolamides and nine polyoxyethylenated long chain amines） are measured through gas chromatography. The apparent methanol carbon number (CMeOH) and polarity index （IP） values are determined on the investigated surfactants as stationary phases in packed columns. Similarly, CMeOH and IP values are determined on simulated hydrophobic tail （SHT） models. The obtained results reveal that the introduction of SHT approach permits the distinction between the polarities of different surfactants and their head groups. The measured polarity terms are discussed as related to hydrophile-lipophile balance （HLB） number and the hydrophobic group carbon number （RCN）. Some equations relating the measured polarity values and these variable have been developed.展开更多
A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear reg...A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear regression,contained four descriptors solely extracted from the molecular structure of compounds. The statistical results of the final model show that R2= 0.982 4 and S=0.869 8 (where R is the correlation coefficient and S is the standard deviation). To test its predictive ability,the model was further used to predict the 13C NMR spectra of the carbinol carbon atoms of other nine compounds which were not included in the developed model. The average relative errors are 0.94% and 1.70%,respectively,for the training set and the predictive set. The model is statistically significant and shows good stability for data variation as tested by the leave-one-out (LOO) cross-validation. The comparison with other approaches also reveals good performance of this method.展开更多
To investigate the stability of rock mass in high geostress underground powerhouse caverns subjected to excavation,a microseismic(MS)monitoring system was established and the discrete element method(DEM)-based numeric...To investigate the stability of rock mass in high geostress underground powerhouse caverns subjected to excavation,a microseismic(MS)monitoring system was established and the discrete element method(DEM)-based numerical simulation was carried out.The tempo-spatial damage characteristics of rock mass were analyzed.The evolution laws of MS source parameters during the formation of a rock collapse controlled by high geostress and geological structure were investigated.Additionally,a three-dimensional DEM model of the underground powerhouse caverns was built to reveal the deformation characteristics of rock mass.The results indicated that the MS events induced by excavation of high geostress underground powerhouse caverns occurred frequently.The large-stake crown of the main powerhouse was the main damage area.Prior to the rock collapse,the MS event count and accumulated energy release increased rapidly,while the apparent stress sharply increased and then decreased.The amount and proportion of shear and mixed MS events remarkably increased.The maximum displacement was generally located near the spandrel areas.The MS monitoring data and numerical simulation were in good agreement,which can provide significant references for damage evaluation and disaster forecasting in high geostress underground powerhouse caverns.展开更多
Slacking experiments were performed on the red beds weak rock from vicinity of Changsha. Grain size distribution of the slacking rock was tested periodically during the experiments, which can be used to describe the p...Slacking experiments were performed on the red beds weak rock from vicinity of Changsha. Grain size distribution of the slacking rock was tested periodically during the experiments, which can be used to describe the physical transition of red beds weak rock during slacking process. According to the similar characters of many attributions such as environmental moisture, mineralogical composition, grain size and other factors between big rocks before slacking and its slacked product, the self-similar property of big rock and the small one can be induced. Fractal concept was introduced to construct the slacking model of red beds weak rock. Combining the supposed relationship of time for slacking and grain size of weak rock, the mathematic simulation of slacking process of red beds weak rock was conducted. To simplify the parameters back calculation, the fractal model proposed by Tyler and Wheatcraft was introduced to describe the characters of grain size distribution variation. The results show that the fractal dimension calculated from simulation data meet experiments data closely, which proves that the mathematic simulation method is reasonable and the parameters determination method is effective.展开更多
文摘Some polarity terms of two groups of nitrogen-containing surfactants （six alkanolamides and nine polyoxyethylenated long chain amines） are measured through gas chromatography. The apparent methanol carbon number (CMeOH) and polarity index （IP） values are determined on the investigated surfactants as stationary phases in packed columns. Similarly, CMeOH and IP values are determined on simulated hydrophobic tail （SHT） models. The obtained results reveal that the introduction of SHT approach permits the distinction between the polarities of different surfactants and their head groups. The measured polarity terms are discussed as related to hydrophile-lipophile balance （HLB） number and the hydrophobic group carbon number （RCN）. Some equations relating the measured polarity values and these variable have been developed.
基金Projects(20775010, 21075011) supported by the National Natural Science Foundation of ChinaProject(2008AA05Z405) supported by the National High-tech Research and Development Program of China+2 种基金Project(09JJ3016) supported by the Natural Science Foundation of Hunan Province, ChinaProject(09C066) supported by the Scientific Research Fund of Hunan Provincial Education Department, ChinaProject(2010CL01) supported by the Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, China
文摘A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear regression,contained four descriptors solely extracted from the molecular structure of compounds. The statistical results of the final model show that R2= 0.982 4 and S=0.869 8 (where R is the correlation coefficient and S is the standard deviation). To test its predictive ability,the model was further used to predict the 13C NMR spectra of the carbinol carbon atoms of other nine compounds which were not included in the developed model. The average relative errors are 0.94% and 1.70%,respectively,for the training set and the predictive set. The model is statistically significant and shows good stability for data variation as tested by the leave-one-out (LOO) cross-validation. The comparison with other approaches also reveals good performance of this method.
基金Project(2017YFC1501100)supported by the National Key R&D Program of ChinaProjects(51809221,51679158)supported by the National Natural Science Foundation of China。
文摘To investigate the stability of rock mass in high geostress underground powerhouse caverns subjected to excavation,a microseismic(MS)monitoring system was established and the discrete element method(DEM)-based numerical simulation was carried out.The tempo-spatial damage characteristics of rock mass were analyzed.The evolution laws of MS source parameters during the formation of a rock collapse controlled by high geostress and geological structure were investigated.Additionally,a three-dimensional DEM model of the underground powerhouse caverns was built to reveal the deformation characteristics of rock mass.The results indicated that the MS events induced by excavation of high geostress underground powerhouse caverns occurred frequently.The large-stake crown of the main powerhouse was the main damage area.Prior to the rock collapse,the MS event count and accumulated energy release increased rapidly,while the apparent stress sharply increased and then decreased.The amount and proportion of shear and mixed MS events remarkably increased.The maximum displacement was generally located near the spandrel areas.The MS monitoring data and numerical simulation were in good agreement,which can provide significant references for damage evaluation and disaster forecasting in high geostress underground powerhouse caverns.
基金Project (95-05-01-45) supported by the Ministry of Communications of China
文摘Slacking experiments were performed on the red beds weak rock from vicinity of Changsha. Grain size distribution of the slacking rock was tested periodically during the experiments, which can be used to describe the physical transition of red beds weak rock during slacking process. According to the similar characters of many attributions such as environmental moisture, mineralogical composition, grain size and other factors between big rocks before slacking and its slacked product, the self-similar property of big rock and the small one can be induced. Fractal concept was introduced to construct the slacking model of red beds weak rock. Combining the supposed relationship of time for slacking and grain size of weak rock, the mathematic simulation of slacking process of red beds weak rock was conducted. To simplify the parameters back calculation, the fractal model proposed by Tyler and Wheatcraft was introduced to describe the characters of grain size distribution variation. The results show that the fractal dimension calculated from simulation data meet experiments data closely, which proves that the mathematic simulation method is reasonable and the parameters determination method is effective.
