Many parameters have been indicated crucial for the selection of a saline aquifer as a carbon dioxide(CO_(2))storage site.However,less attention has been given to the impact of heterogeneity on the performance of thes...Many parameters have been indicated crucial for the selection of a saline aquifer as a carbon dioxide(CO_(2))storage site.However,less attention has been given to the impact of heterogeneity on the performance of these storage media.Thus,the heterogeneity effect was evaluated in this paper by adopting a numerical modeling approach and the existing screening criterion developed for the aquifers was updated.The updated criterion for CO_(2)storage purpose would enhance the confidence level during the selection of deep saline aquifer and thus,help to address the climate change issue.The numerical modeling was carried out via CO_(2)STORE module of Eclipse300 Simulator to evaluate the effect of different levels of heterogeneity on CO_(2)storage potential.Different degrees of heterogeneity from homogenous systems to highly heterogeneous systems in the model were incorporated through the Lorenz coefficient.In this way,simulation of nine cases was carried out for three different aquifers with different porosity values.A comparison of these results showed that heterogeneity causes the aquifer to have lower storage capacity.On the trapping potential,dissolution trapping was significant and the amount of free gas in all cases was minimum.In addition,the aquifer with the highest level of heterogeneity(HLH)had a minimum fraction of residual trapping regardless of porosity.It was also found that final pressure at the end of 30 years is the same and high for low-level heterogeneity(LLH)and medium level heterogeneity(MLH)cases and low for HLH,while the injection rate stability duration is least for HLH and maximum for LLH.Based on the results obtained,it can be concluded that low to medium level heterogeneous aquifers with a good porosity can be a suitable choice for CO_(2)storage.展开更多
It is essential to characterize fluid flow in porous media to have a better understanding of petrophysical properties.Many approaches were developed to determine reservoir permeability among which the integrated analy...It is essential to characterize fluid flow in porous media to have a better understanding of petrophysical properties.Many approaches were developed to determine reservoir permeability among which the integrated analysis of hydraulic flow unit(HFU)and electrofacies(EF)is considered to be useful one.However,the application of HFU and EF analysis has not been totally understood with a limited data to develop correlation for less distance offset wells.In this study,an attempt was made to show the application of integrating HFU and EF for reliable estimation of permeability using core and wireline log data in one of the gas fields in Pakistan.The results obtained indicate that the integrated approach proposed in this study can be used,especially in less distance offset wells when a limited number of data are available for petrophysical characterization.展开更多
The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three diff...The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three different trial functions. Spectroscopic constants are also numerically derived and the ground state is assigned, looking forward to experimental comparisons. Moreover, variations of the permanent dipole moments as a function of the internuclear separation for the two lowest states of the diatomic LaP are studied and analyzed.展开更多
Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial func...Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^（[19]） however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. Our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed.展开更多
Pseudopotential calculations of the ground state energies of the Lanthanum neutral atom, first and second corresponding cations by means of the variational Monte Carlo (VMC) and the diffusion Monte Carlo (DMC) methods...Pseudopotential calculations of the ground state energies of the Lanthanum neutral atom, first and second corresponding cations by means of the variational Monte Carlo (VMC) and the diffusion Monte Carlo (DMC) methods are performed. The first and the second ionization potentials have been calculated for Lanthanum. The obtained results are satisfactory and comparable with the available experimental data. Studying the DMC energy of the La atom at different time steps, gave us a time step error of the order 0.0019 Hartree for the smallest time step, τ = 0.0001 Hartree-1, and -0.0104 Hartree for the largest time step, τ = 0.01 Hartree-1. This paper demonstrates the ability of extending the QMC method for lanthanides and obtaining highly accurate results.展开更多
文摘Many parameters have been indicated crucial for the selection of a saline aquifer as a carbon dioxide(CO_(2))storage site.However,less attention has been given to the impact of heterogeneity on the performance of these storage media.Thus,the heterogeneity effect was evaluated in this paper by adopting a numerical modeling approach and the existing screening criterion developed for the aquifers was updated.The updated criterion for CO_(2)storage purpose would enhance the confidence level during the selection of deep saline aquifer and thus,help to address the climate change issue.The numerical modeling was carried out via CO_(2)STORE module of Eclipse300 Simulator to evaluate the effect of different levels of heterogeneity on CO_(2)storage potential.Different degrees of heterogeneity from homogenous systems to highly heterogeneous systems in the model were incorporated through the Lorenz coefficient.In this way,simulation of nine cases was carried out for three different aquifers with different porosity values.A comparison of these results showed that heterogeneity causes the aquifer to have lower storage capacity.On the trapping potential,dissolution trapping was significant and the amount of free gas in all cases was minimum.In addition,the aquifer with the highest level of heterogeneity(HLH)had a minimum fraction of residual trapping regardless of porosity.It was also found that final pressure at the end of 30 years is the same and high for low-level heterogeneity(LLH)and medium level heterogeneity(MLH)cases and low for HLH,while the injection rate stability duration is least for HLH and maximum for LLH.Based on the results obtained,it can be concluded that low to medium level heterogeneous aquifers with a good porosity can be a suitable choice for CO_(2)storage.
文摘It is essential to characterize fluid flow in porous media to have a better understanding of petrophysical properties.Many approaches were developed to determine reservoir permeability among which the integrated analysis of hydraulic flow unit(HFU)and electrofacies(EF)is considered to be useful one.However,the application of HFU and EF analysis has not been totally understood with a limited data to develop correlation for less distance offset wells.In this study,an attempt was made to show the application of integrating HFU and EF for reliable estimation of permeability using core and wireline log data in one of the gas fields in Pakistan.The results obtained indicate that the integrated approach proposed in this study can be used,especially in less distance offset wells when a limited number of data are available for petrophysical characterization.
文摘The completely unexplored LaP molecule is investigated by ab initio methods. Potential energy curves for the lowlying states of LaP are constructed by means of the diffusion Monte Carlo method combined with three different trial functions. Spectroscopic constants are also numerically derived and the ground state is assigned, looking forward to experimental comparisons. Moreover, variations of the permanent dipole moments as a function of the internuclear separation for the two lowest states of the diatomic LaP are studied and analyzed.
文摘Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^（[19]） however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. Our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed.
文摘Pseudopotential calculations of the ground state energies of the Lanthanum neutral atom, first and second corresponding cations by means of the variational Monte Carlo (VMC) and the diffusion Monte Carlo (DMC) methods are performed. The first and the second ionization potentials have been calculated for Lanthanum. The obtained results are satisfactory and comparable with the available experimental data. Studying the DMC energy of the La atom at different time steps, gave us a time step error of the order 0.0019 Hartree for the smallest time step, τ = 0.0001 Hartree-1, and -0.0104 Hartree for the largest time step, τ = 0.01 Hartree-1. This paper demonstrates the ability of extending the QMC method for lanthanides and obtaining highly accurate results.
