Trace metals associated with PM10 aerosols and their variation during day and nighttime as well as during different seasons have been studied for the year 2012. PCA analysis suggested5 PCs,which accounted for 86.8% cu...Trace metals associated with PM10 aerosols and their variation during day and nighttime as well as during different seasons have been studied for the year 2012. PCA analysis suggested5 PCs,which accounted for 86.8% cumulative variance. PC1 accounted for 30% with a significant loading of metals of anthropogenic origin,while PC2 showed 28% variance with the loading of metals of crustal origin. These trace metals showed seasonal distinct day and night time characteristics. The concentrations of Cu,Pb,and Cd were found to be higher during nighttime in all the seasons. Only Fe was observed with significantly higher mean concentrations during daytime of all seasons except monsoon. The highest mean values of Cu,Cd,Zn,and Pb during post-monsoon might be attributed to winds advection over the regions of waste/biomass burning and industrial activities in Punjab and Haryana regions.Furthermore,concentration weighted trajectory analysis suggested that metals of crustal origin were contributed by long-range transport while metals of anthropogenic and industrial activities were contributed by regional/local source regions.展开更多
The analytical potential energy function of HDO is constructed at first using the many-body expansion method. The reaction dynamics of O＋HD （v = 0, j = 0） in five product channels are all studied by quasi-classical...The analytical potential energy function of HDO is constructed at first using the many-body expansion method. The reaction dynamics of O＋HD （v = 0, j = 0） in five product channels are all studied by quasi-classical trajectory （QCT） method. The results show that the long-lived complex compound HDO is the dominant product at low collision energy. With increasing collision energy, O＋HD → OH＋D and O＋HD → OD＋H exchange reactions will occur with remarkable characteristics, such as near threshold energies, different reaction probabilities, and different reaction cross sections, implying the isotopic effect between H and D. With further increasing collision energy （e.g., up to 502.08 kJ/mol）, O＋HD → O＋H＋D will occur and induce the complete dissociation into single O, H, and D atoms.展开更多
In the design of a shale-gas cluster horizontal well,it is necessary to consider the bypass of the fracturing influence domains of existing wells and the interference between fracturing influence domains when the well...In the design of a shale-gas cluster horizontal well,it is necessary to consider the bypass of the fracturing influence domains of existing wells and the interference between fracturing influence domains when the wellbore trajectories of infill adjustment wells in the fracturing areas are designed.In order to quickly evaluate the rationality of the design scheme of fracturing wellbore trajectory in an infill adjustment well,this paper adopted the vector algebra method to build a geometric model of the obstacles in the shale gas fracturing area.In this geometric model,the influence domains of hydraulic fractures are taken into account.Then,based on this geometric model,the optimization design model of bypass trajectory in the shale gas fracturing area was established by taking the minimization of total trajectory length and trajectory potential energy as the optimization objective and the anti-collision between trajectories as the constraint.Besides,the geometric check method to judge if there is any interference between fracturing influence domains was provided.Finally,the established optimization design model was verified based on the actual drilling data of Fuling Shale Gas Field in the Sichuan Basin.And the following research results were obtained.First,the obstacle sizes in fracturing areas will be seriously underestimated if the fracturing influence domains are neglected.Second,if the fracturing influence domains are neglected,the designed bypass trajectory can bypass the wellbore trajectories of old wells,but may intersect the fracturing influence domains of existing wells,thus inducing drilling accidents.In conclusion,the proposed optimization design model of bypass trajectory in the shale gas fracturing area can satisfy the constraint of anti-collision and bypass and achieve the optimization objective of minimizing total trajectory length and trajectory potential energy,and the corresponding design calculation avoids complex calculation and check.展开更多
The effects of isotope substitution on stereodynamic properties for the reactions C^+ + H_2/HD/HT →CH^+ + H/D/T have been studied applying a quasi classical trajectory method occurring on the new ground state CH_2^+ ...The effects of isotope substitution on stereodynamic properties for the reactions C^+ + H_2/HD/HT →CH^+ + H/D/T have been studied applying a quasi classical trajectory method occurring on the new ground state CH_2^+ potential energy surface [J. Chem. Phys. 142(2015) 124302]. In the center of mass coordinates applying the quasi classical trajectory method to investigate the orientation and the alignment of the product molecule. Differential cross section and three angle distribution functions P(θ_r), P(ф_r), P(θ_r, ф_r) on the potential energy surface that fixed the collision energy with a value is 40 kcal/mol have been studied. The isotope effect becomes more and more important with the reagent molecules H_2 changing into HD and HT. P(θ_r, ф_r) as the joint probability density function of both polar angles θ_r and ф_r, which can illustrate more detailed dynamics information. The isotope effect is obvious influence on the properties of stereodynamics in the reactions of C^+ + H_2/HD/HT → CH^+ + H/D/T.展开更多
基金Partial financial support from the CSIR network project(PSC 0112)CSIR fellowship to Subhash Chandra,SRF
文摘Trace metals associated with PM10 aerosols and their variation during day and nighttime as well as during different seasons have been studied for the year 2012. PCA analysis suggested5 PCs,which accounted for 86.8% cumulative variance. PC1 accounted for 30% with a significant loading of metals of anthropogenic origin,while PC2 showed 28% variance with the loading of metals of crustal origin. These trace metals showed seasonal distinct day and night time characteristics. The concentrations of Cu,Pb,and Cd were found to be higher during nighttime in all the seasons. Only Fe was observed with significantly higher mean concentrations during daytime of all seasons except monsoon. The highest mean values of Cu,Cd,Zn,and Pb during post-monsoon might be attributed to winds advection over the regions of waste/biomass burning and industrial activities in Punjab and Haryana regions.Furthermore,concentration weighted trajectory analysis suggested that metals of crustal origin were contributed by long-range transport while metals of anthropogenic and industrial activities were contributed by regional/local source regions.
基金Project supported by the National Natural Science Foundation of China (Grant No 10676022)
文摘The analytical potential energy function of HDO is constructed at first using the many-body expansion method. The reaction dynamics of O＋HD （v = 0, j = 0） in five product channels are all studied by quasi-classical trajectory （QCT） method. The results show that the long-lived complex compound HDO is the dominant product at low collision energy. With increasing collision energy, O＋HD → OH＋D and O＋HD → OD＋H exchange reactions will occur with remarkable characteristics, such as near threshold energies, different reaction probabilities, and different reaction cross sections, implying the isotopic effect between H and D. With further increasing collision energy （e.g., up to 502.08 kJ/mol）, O＋HD → O＋H＋D will occur and induce the complete dissociation into single O, H, and D atoms.
文摘In the design of a shale-gas cluster horizontal well,it is necessary to consider the bypass of the fracturing influence domains of existing wells and the interference between fracturing influence domains when the wellbore trajectories of infill adjustment wells in the fracturing areas are designed.In order to quickly evaluate the rationality of the design scheme of fracturing wellbore trajectory in an infill adjustment well,this paper adopted the vector algebra method to build a geometric model of the obstacles in the shale gas fracturing area.In this geometric model,the influence domains of hydraulic fractures are taken into account.Then,based on this geometric model,the optimization design model of bypass trajectory in the shale gas fracturing area was established by taking the minimization of total trajectory length and trajectory potential energy as the optimization objective and the anti-collision between trajectories as the constraint.Besides,the geometric check method to judge if there is any interference between fracturing influence domains was provided.Finally,the established optimization design model was verified based on the actual drilling data of Fuling Shale Gas Field in the Sichuan Basin.And the following research results were obtained.First,the obstacle sizes in fracturing areas will be seriously underestimated if the fracturing influence domains are neglected.Second,if the fracturing influence domains are neglected,the designed bypass trajectory can bypass the wellbore trajectories of old wells,but may intersect the fracturing influence domains of existing wells,thus inducing drilling accidents.In conclusion,the proposed optimization design model of bypass trajectory in the shale gas fracturing area can satisfy the constraint of anti-collision and bypass and achieve the optimization objective of minimizing total trajectory length and trajectory potential energy,and the corresponding design calculation avoids complex calculation and check.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11474141,11274149,11544015the Program for Liaoning Excellent Talents in University under Grant No.LJQ2015040the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry(2014-1685)
文摘The effects of isotope substitution on stereodynamic properties for the reactions C^+ + H_2/HD/HT →CH^+ + H/D/T have been studied applying a quasi classical trajectory method occurring on the new ground state CH_2^+ potential energy surface [J. Chem. Phys. 142(2015) 124302]. In the center of mass coordinates applying the quasi classical trajectory method to investigate the orientation and the alignment of the product molecule. Differential cross section and three angle distribution functions P(θ_r), P(ф_r), P(θ_r, ф_r) on the potential energy surface that fixed the collision energy with a value is 40 kcal/mol have been studied. The isotope effect becomes more and more important with the reagent molecules H_2 changing into HD and HT. P(θ_r, ф_r) as the joint probability density function of both polar angles θ_r and ф_r, which can illustrate more detailed dynamics information. The isotope effect is obvious influence on the properties of stereodynamics in the reactions of C^+ + H_2/HD/HT → CH^+ + H/D/T.
