Energy is an essential element for any civilized country’s social and economic development,but the use of fossil fuels and nonrenewable energy forms has many negative impacts on the environment and the ecosystem.The ...Energy is an essential element for any civilized country’s social and economic development,but the use of fossil fuels and nonrenewable energy forms has many negative impacts on the environment and the ecosystem.The Republic of Yemen has very good potential to use renewable energy.Unfortunately,we find few studies on renewable wind energy in Yemen.Given the lack of a similar analysis for the coastal city,this research newly investigates wind energy’s potential near the Almukalla area by analyzing wind characteristics.Thus,evaluation,model identification,determination of available energy density,computing the capacity factors for several wind turbines and calculation of wind energy were extracted at three heights of 15,30,and 50meters.Average wind speeds were obtained only for the currently available data of five recent years,2005–2009.This study involves a preliminary assessment of Almukalla’s wind energy potential to provide a primary base and useful insights for wind engineers and experts.This research aims to provide useful assessment of the potential of wind energy in Almukalla for developing wind energy and an efficient wind approach.The Weibull distribution shows a perfect approximation for estimating the intensity of Yemen’s wind energy.Depending on both theWeibullmodel and the results of the annual wind speed data analysis for the study site in Mukalla,the capacity factor for many turbines was also calculated,and the best suitable turbine was selected.According to the International Wind Energy Rating criteria,Almukalla falls under Category 7,which is,rated“Superb”most of the year.展开更多
The increasing use of fossil fuels has a significant impact on the environment and ecosystem,which increases the rate of pollution.Given the high potential of renewable energy sources inYemen and the absence of simila...The increasing use of fossil fuels has a significant impact on the environment and ecosystem,which increases the rate of pollution.Given the high potential of renewable energy sources inYemen and the absence of similar studies in the region,this study aims to examine the potential of wind energy in Socotra Island.This was done by analyzing and evaluating wind properties,determining available energy density,calculating wind energy extracted at different altitudes,and then computing the capacity factor for a number of wind turbines and determining the best.The average wind speed in Socotra Island was obtained from the Civil Aviation and Meteorology Authority data,only for the five-year data currently available.The results showed high wind speeds from June to September(9.85-14.88 m/s)while the wind speed decreased for the rest of the year.The average wind speed in the five years was 7.95 m/s.The average annual wind speed,wind energy density,and annual energy density were calculated at different altitudes(10,30,and 50 m).According to the International Wind Energy Rating criteria,the region of Socotra Island falls under Category 7 and is classified as‘Superb’for most of the year.This study provides useful information for developing wind energy and an efficient wind approach.展开更多
Renewable energy is one of the essential elements of the social and economic development in any civilized country.The use of fossil fuels and the non-renewable form of energy has many adverse effects on the most of ec...Renewable energy is one of the essential elements of the social and economic development in any civilized country.The use of fossil fuels and the non-renewable form of energy has many adverse effects on the most of ecosystems.Given the high potential of renewable energy sources in Yemen and the absence of similar studies in the region,this study aimed to examine the wind energy potential of Hodeidah-Yemen Republic by analyzing wind characteristics and assessment,determining the available power density,and calculate the wind energy extracted at different heights.The average wind speed of Hodeidah was obtained only for the data currently available for the five years 2005–2009(due to the current economic and the political situation in Yemen).The results show that the average wind speed in the five years is(25.2 W/m2 at 10 m,93.9 W/m2 at 30 m,and 173.5 W/m2 at 50 m).The average yearly wind power density(25.2 W/m2 at 10 m,93.9 W/m2 at 30 m and 173.5 W/m2 at 50m),and the average yearly energy density(220.8 KWh/m2/year at 10 m,822.6 KWh/m2/year at 30 m and 1519.9 KWh/m2/year at 50 m).This research is a preliminary assessment of the potential of wind energy in Hodeidah,which provides useful information for developing wind energy and an efficient wind approach.According to the International Wind Energy Rating criteria,the region of Hodeidah falls under‘Class 2’and is classified as‘Marginal’for most of the year.展开更多
1-year hourly wind speed data from two Burundian stations, namely Bujumbura and Muyinga, have been processed in this work to bring an efficient help for the planning and installation of wind energy conversion systems ...1-year hourly wind speed data from two Burundian stations, namely Bujumbura and Muyinga, have been processed in this work to bring an efficient help for the planning and installation of wind energy conversion systems (WECS) at those localities. Mean seasonal and diurnal variations of wind direction and wind shear exponent have been derived. Two-parameter Weibull probability density functions (PDFs) fitting the observed monthly and annual wind speed relative frequency distributions have been implemented. As shown through three complementary statistical tests, the fitting technique was very satisfactory. A wind resource analysis at 10 m above ground level (AGL) has led to a mean power density at Bujumbura which is almost thirteen fold higher than at Muyinga. The use of the empirical power law to extrapolate wind characteristics at heights from 150 to 350 m AGL has shown that energy potential of hilltops around Muyinga was only suitable for small, individual scale wind energy applications. At the opposite, wind energy potential of ridge-tops and hilltops around Bujumbura has been found suitable for medium and large scale electricity production. For that locality and at those heights, energy outputs and capacity factors (CF or C<sub>f</sub>) have been computed for ten selected wind turbines (WTs), together with costs of electricity (COE) using the present value of cost (PVC) method. Amongst those WTs, YDF-1500-87 and S95-2.1 MW have emerged as the best options for installation owing to their highest CF and lowest COE. Moreover, an analysis of those two quantities at monthly basis for YDF-1500-87 WT has led to its best performance in the dry season. Compared to the average present COE of household hydroelectricity consumption, results of this study have evidenced economical feasibility and benefit of WECS setting in selected Burundian sites in order to supplement traditional electricity sources.展开更多
Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction...Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory.展开更多
The system translates the arm/boom/buck's potential energy into electrical energy and then the electrical energy is stored in a storage device.This study develops a set of energy management strategy to make the re...The system translates the arm/boom/buck's potential energy into electrical energy and then the electrical energy is stored in a storage device.This study develops a set of energy management strategy to make the recoverable energy recycling efficiently.This energy of traditional excavator is lost in the form of heat energy,which is wasteful,and makes the component's temperature higher and higher to reduce the machine's life.Research on this system not only conforms to the current topic of energy crisis,but also mates with the actual engineering,so it is significant to research that.展开更多
The objective of this study was to determine the annual crop residue potential in terms of types,quantities and mapping in Turkey.The calorific values of agricultural residues were determined by calorimeter according ...The objective of this study was to determine the annual crop residue potential in terms of types,quantities and mapping in Turkey.The calorific values of agricultural residues were determined by calorimeter according to ASTM D 5865 Standard Test Method for Coal and Coke 2002.In this study,the energy potential of annual crop residues was evaluated by ArcGIS^(TM) which is a geographical information system program.The total amount of unused annual crop residues was approximately 15.24 Mt/a.It was found that the total calorific value of the field crop residues was around 268 PJ/a for the 2012 production period in Turkey.The major crops included in the ratio of the total calorific value were maize(45.81%),wheat(21.30%),sunflower(15.10%)and cotton(18.1%).The amount of CO_(2) emitted into the atmosphere can be reduced by 30 Mt/a year through the use of agricultural residues.展开更多
Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are o...Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.展开更多
In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, har...In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data (αe, ωe and ωeχe) of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.展开更多
The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-ada...The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.展开更多
This paper calculates the equilibrium internuclear separations, the harmonic frequencies and the potential energy curves of the X^2∑+, A^2П and B^2∑+ states of the CP radical by the highly accurate valence intern...This paper calculates the equilibrium internuclear separations, the harmonic frequencies and the potential energy curves of the X^2∑+, A^2П and B^2∑+ states of the CP radical by the highly accurate valence internally contracted multireference configuration interaction method with correlation-consistent basis sets (aug-cc-pV6Z for C atom and aug-cc-pVQZ for P atom). The potential energy curves are all fitted with the analytic potential energy function by the least-square fitting. Employing the analytic potential energy function, we determine the spectroscopic constants (Be, αe and ωeχe) of these states. For the X2∑+ state, the obtained values of De, Be, αe, ωeχe, Re and ωe are 5.4831 eV, 0.792119 cm-1, 0.005521 cm-1, 6.89653 cm-1, 0.15683 nm, 12535.11 cm-1, respectively. For the A2H state, the present values of De, Be,αe, ωeχe, Re and We are 4.586 eV, 0.703333 cm-1, 0.005458 cm-1, 6.03398 cm-1, 0.16613 nm, 1057.89 cm-1, respectively. For the B2E+ state, the present values of De, Be, αe, ωeχe, Re and We are 3.506 eV, 0.677561 cm-1, 0.00603298 cm-1, 5.68809 cm-1, 0.1696 nm, 822.554 cm-1, respectively. For these states, the vibrational states with the rotational quantum number J equals zero (J = 0) are studied by solving the radial nuclear Schr6dinger equation using the Numerov method. For each vibrational state, the vibrational level, the classical turning points, the rotational inertial and the centrifugal distortion constants are calculated. Comparison is made with recent theoretical and experimental results.展开更多
The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR s...The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD (T) method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.展开更多
The comparison between single-point energy scanning (SPES) and geometry optimization (OPT) in determining the equilibrium geometries of c^3∑g^+ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by ...The comparison between single-point energy scanning (SPES) and geometry optimization (OPT) in determining the equilibrium geometries of c^3∑g^+ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion (SAC-CI) method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^+ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies (We) and other spectroscopic data (ωeXe, Be and αe) are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.展开更多
The multi-reference configuration interaction method and aug-cc-pvqz (AVQZ) have been used to calculate potential energy curves (PECs) of the singlet and triplet states of the riu and rig symmetry of B2++. All o...The multi-reference configuration interaction method and aug-cc-pvqz (AVQZ) have been used to calculate potential energy curves (PECs) of the singlet and triplet states of the riu and rig symmetry of B2++. All of the four states (^l∏u, ^1∏g, ^3∏u and ^3∏g) are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions (APEFs) of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion.展开更多
The kinetic energy generation in either the dry or moist atmosphere may be estimated by the same relationships if we introduce the new concept of generalized available potential energy. The largest magnitude of genera...The kinetic energy generation in either the dry or moist atmosphere may be estimated by the same relationships if we introduce the new concept of generalized available potential energy. The largest magnitude of generalized available potential energy and corresponding reference state of either dry or moist atmosphere are calculated in terms of the mitial conditions and entropy variation of the atmosphere. The obtained relationships are applicable for the statically unstable atmosphere as well. The generalized available potential energy associated with reversible processes reaches the maximum with respect to same initial state. While the generation of kinetic energy in irreversible processes is characterized by sudden changes. When the reference state is assumed to be saturated, we may predict the final temperature and moisture fields corresponding to provided initial state and entropy variation.展开更多
This paper applies the symmetry-aziapted-cluster/symmetry-adapted-cluster configuration-interaction (SAC/SACCI) method to optimize the structures for X^1∑^+, A^1 Ⅱ and C^1 ∑^- states of SiO molecule with the bas...This paper applies the symmetry-aziapted-cluster/symmetry-adapted-cluster configuration-interaction (SAC/SACCI) method to optimize the structures for X^1∑^+, A^1 Ⅱ and C^1 ∑^- states of SiO molecule with the basis sets D95++, 6-311++G and 6-311++G^**. Comparing the obtained results with the experiments, it gets the conclusion that the basis set 6-311++G^** is most suitable for the optimal structure calculations of X^1.∑^+, A^Ⅱ and C^1∑^- states of SiO molecule. The whole potential energy curves for these electronic states are further scanned by using SAC/6-311++G^** method for the ground state and SAC-CI/6-311++G^** method for the excited states, then use a least square method to fit Murrell^Sorbie functions, at last the spectroscopic constants and force constants are calculated, which are in good agreement with the experimental data.展开更多
The density functional method (B3P86/6-311G) is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nucle...The density functional method (B3P86/6-311G) is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nuclear distance is RseC = 0.1699 nm, and the dissociation energy is De = 8.7246 eV. The ground state of the SeO molecule is 3^∑, with equilibrium nuclear distance RseO=0.1707 nm and dissociation energy De = 7.0917 eV. There are two structures for the ground state of the SeCO molecule: Se=C=O and Se=O=C. The linear Se=C=O is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rsec = 0.1715 nm, Rco = 0.1176 nm and 18.8492 eV, respectively. The other structure Se=O=C is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rco = 0.1168 nm, RSeO= 0.1963 nm and 15.5275 eV, respectively. The possible dissociative limit of the SeCO molecule is analyzed. The potential energy function for the SeCO molecule has been obtained from the many-body expansion theory. The contour of the potential energy curve describes the structure characters of the SeCO molecule. Furthermore, contours of the molecular stretching vibration based on this potential energy function are discussed.展开更多
This paper applies the density functional theory method to optimise the structure for X3A state of TiO molecule with the basis sets 6-31G, 6-31++G and 6-311G^**. Comparing the attained results with the experiments...This paper applies the density functional theory method to optimise the structure for X3A state of TiO molecule with the basis sets 6-31G, 6-31++G and 6-311G^**. Comparing the attained results with the experiments, it obtains the conclusion that the basis set 6-31++G is most suitable for the optimal structure calculations of X3A state of TiO molecule. The whole potential energy curve for the electronic state is further scanned by using B3P86/6-31++G method for the ground state, then it uses a least square fitted to Murrell-Sorbie functions, at last it calculates the spectroscopic constants and force constants, which are in better agreement with the experimental data.展开更多
The reasonable dissociation limit of the A^1∑+ state ^7LiH molecule is obtained. The accurate dissociation energy and the equilibrium geometry of this state are calculated using a symmetry-adapted-cluster configurat...The reasonable dissociation limit of the A^1∑+ state ^7LiH molecule is obtained. The accurate dissociation energy and the equilibrium geometry of this state are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space for the first time, The whole potential energy curve and the dipole moment function for the A^1∑+ state are calculated over a wide internuclear separation range from about 0.1 to 1.4 nm. The calculated equilibrium geometry and dissociation energy of this potential energy curve are of Re=0.2487 nm and De=1.064eV, respectively. The unusual negative values of the anharmonicity constant and the vibration-rotational coupling constant are of ωeXe=-4.7158cm^-1 and αe=0.08649cm^-1, respectively. The vertical excitation energy from the ground to the A^1∑+ state is calculated and the value is of 3.613eV at 0.15875nm (the equilibrium position of the ground state). The highly anomalous shape of this potential energy curve, which is exceptionally flat over a wide radial range around the equilibrium position, is discussed in detail. The harmonic frequency value of 502.47cm^-1 about this state is approximately estimated. Careful comparison of the theoretical determinations with those obtained by previous theories about the A^1∑+ state dissociation energy clearly shows that the present calculations are much closer to the experiments than previous theories, thus represents an improvement.展开更多
The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential ene...The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.展开更多
文摘Energy is an essential element for any civilized country’s social and economic development,but the use of fossil fuels and nonrenewable energy forms has many negative impacts on the environment and the ecosystem.The Republic of Yemen has very good potential to use renewable energy.Unfortunately,we find few studies on renewable wind energy in Yemen.Given the lack of a similar analysis for the coastal city,this research newly investigates wind energy’s potential near the Almukalla area by analyzing wind characteristics.Thus,evaluation,model identification,determination of available energy density,computing the capacity factors for several wind turbines and calculation of wind energy were extracted at three heights of 15,30,and 50meters.Average wind speeds were obtained only for the currently available data of five recent years,2005–2009.This study involves a preliminary assessment of Almukalla’s wind energy potential to provide a primary base and useful insights for wind engineers and experts.This research aims to provide useful assessment of the potential of wind energy in Almukalla for developing wind energy and an efficient wind approach.The Weibull distribution shows a perfect approximation for estimating the intensity of Yemen’s wind energy.Depending on both theWeibullmodel and the results of the annual wind speed data analysis for the study site in Mukalla,the capacity factor for many turbines was also calculated,and the best suitable turbine was selected.According to the International Wind Energy Rating criteria,Almukalla falls under Category 7,which is,rated“Superb”most of the year.
基金The author extends his appreciation to the Deanship of Scientific Research at King Khalid University for funding this work under Grant Number(R.G.P.2/25/42),Received by Fahd N.Al-Wesabi.www.kku.edu.sa.
文摘The increasing use of fossil fuels has a significant impact on the environment and ecosystem,which increases the rate of pollution.Given the high potential of renewable energy sources inYemen and the absence of similar studies in the region,this study aims to examine the potential of wind energy in Socotra Island.This was done by analyzing and evaluating wind properties,determining available energy density,calculating wind energy extracted at different altitudes,and then computing the capacity factor for a number of wind turbines and determining the best.The average wind speed in Socotra Island was obtained from the Civil Aviation and Meteorology Authority data,only for the five-year data currently available.The results showed high wind speeds from June to September(9.85-14.88 m/s)while the wind speed decreased for the rest of the year.The average wind speed in the five years was 7.95 m/s.The average annual wind speed,wind energy density,and annual energy density were calculated at different altitudes(10,30,and 50 m).According to the International Wind Energy Rating criteria,the region of Socotra Island falls under Category 7 and is classified as‘Superb’for most of the year.This study provides useful information for developing wind energy and an efficient wind approach.
基金The authors extend their appreciation to the Deanship of Scientific Research at King Khalid University for funding this work under Grant Number(R.G.P.2/25/42),Received by Fahd N.Al-Wesabi.www.kku.edu.sa.
文摘Renewable energy is one of the essential elements of the social and economic development in any civilized country.The use of fossil fuels and the non-renewable form of energy has many adverse effects on the most of ecosystems.Given the high potential of renewable energy sources in Yemen and the absence of similar studies in the region,this study aimed to examine the wind energy potential of Hodeidah-Yemen Republic by analyzing wind characteristics and assessment,determining the available power density,and calculate the wind energy extracted at different heights.The average wind speed of Hodeidah was obtained only for the data currently available for the five years 2005–2009(due to the current economic and the political situation in Yemen).The results show that the average wind speed in the five years is(25.2 W/m2 at 10 m,93.9 W/m2 at 30 m,and 173.5 W/m2 at 50 m).The average yearly wind power density(25.2 W/m2 at 10 m,93.9 W/m2 at 30 m and 173.5 W/m2 at 50m),and the average yearly energy density(220.8 KWh/m2/year at 10 m,822.6 KWh/m2/year at 30 m and 1519.9 KWh/m2/year at 50 m).This research is a preliminary assessment of the potential of wind energy in Hodeidah,which provides useful information for developing wind energy and an efficient wind approach.According to the International Wind Energy Rating criteria,the region of Hodeidah falls under‘Class 2’and is classified as‘Marginal’for most of the year.
文摘1-year hourly wind speed data from two Burundian stations, namely Bujumbura and Muyinga, have been processed in this work to bring an efficient help for the planning and installation of wind energy conversion systems (WECS) at those localities. Mean seasonal and diurnal variations of wind direction and wind shear exponent have been derived. Two-parameter Weibull probability density functions (PDFs) fitting the observed monthly and annual wind speed relative frequency distributions have been implemented. As shown through three complementary statistical tests, the fitting technique was very satisfactory. A wind resource analysis at 10 m above ground level (AGL) has led to a mean power density at Bujumbura which is almost thirteen fold higher than at Muyinga. The use of the empirical power law to extrapolate wind characteristics at heights from 150 to 350 m AGL has shown that energy potential of hilltops around Muyinga was only suitable for small, individual scale wind energy applications. At the opposite, wind energy potential of ridge-tops and hilltops around Bujumbura has been found suitable for medium and large scale electricity production. For that locality and at those heights, energy outputs and capacity factors (CF or C<sub>f</sub>) have been computed for ten selected wind turbines (WTs), together with costs of electricity (COE) using the present value of cost (PVC) method. Amongst those WTs, YDF-1500-87 and S95-2.1 MW have emerged as the best options for installation owing to their highest CF and lowest COE. Moreover, an analysis of those two quantities at monthly basis for YDF-1500-87 WT has led to its best performance in the dry season. Compared to the average present COE of household hydroelectricity consumption, results of this study have evidenced economical feasibility and benefit of WECS setting in selected Burundian sites in order to supplement traditional electricity sources.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.52002318 and 22103061)。
文摘Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory.
基金supported by Science and Technology Research and Development Plan Project of Handan City(22422401138ZC)2022 School Level Project in Handan University(XZ2022203)。
文摘The system translates the arm/boom/buck's potential energy into electrical energy and then the electrical energy is stored in a storage device.This study develops a set of energy management strategy to make the recoverable energy recycling efficiently.This energy of traditional excavator is lost in the form of heat energy,which is wasteful,and makes the component's temperature higher and higher to reduce the machine's life.Research on this system not only conforms to the current topic of energy crisis,but also mates with the actual engineering,so it is significant to research that.
文摘The objective of this study was to determine the annual crop residue potential in terms of types,quantities and mapping in Turkey.The calorific values of agricultural residues were determined by calorimeter according to ASTM D 5865 Standard Test Method for Coal and Coke 2002.In this study,the energy potential of annual crop residues was evaluated by ArcGIS^(TM) which is a geographical information system program.The total amount of unused annual crop residues was approximately 15.24 Mt/a.It was found that the total calorific value of the field crop residues was around 268 PJ/a for the 2012 production period in Turkey.The major crops included in the ratio of the total calorific value were maize(45.81%),wheat(21.30%),sunflower(15.10%)and cotton(18.1%).The amount of CO_(2) emitted into the atmosphere can be reduced by 30 Mt/a year through the use of agricultural residues.
基金This work was supported by the National Natural Science Foundation of China (No. 40274044).
文摘Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.
文摘In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data (αe, ωe and ωeχe) of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.
基金Project supported by the National Natural Science Foundation of China (Grant No 10174019), Henan Innovation for University Prominent Research Talents (2006KYCX002) and the Natural Science Foundation of Henan Province, China (Grant No 2006140008).Acknowledgment The authors would like to heartily thank Professor Zhu Z H, of Sichuan University, for his helpful discussion about the reasonable dissociation limits at the planning stages of these calculations.
文摘The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.
基金supported by the National Natural Science Foundation of China (Grant No. 10874064)the Program for Science & Technology Innovation Talents in Universities of Henan Province in China (Grant No. 2008HASTIT008)
文摘This paper calculates the equilibrium internuclear separations, the harmonic frequencies and the potential energy curves of the X^2∑+, A^2П and B^2∑+ states of the CP radical by the highly accurate valence internally contracted multireference configuration interaction method with correlation-consistent basis sets (aug-cc-pV6Z for C atom and aug-cc-pVQZ for P atom). The potential energy curves are all fitted with the analytic potential energy function by the least-square fitting. Employing the analytic potential energy function, we determine the spectroscopic constants (Be, αe and ωeχe) of these states. For the X2∑+ state, the obtained values of De, Be, αe, ωeχe, Re and ωe are 5.4831 eV, 0.792119 cm-1, 0.005521 cm-1, 6.89653 cm-1, 0.15683 nm, 12535.11 cm-1, respectively. For the A2H state, the present values of De, Be,αe, ωeχe, Re and We are 4.586 eV, 0.703333 cm-1, 0.005458 cm-1, 6.03398 cm-1, 0.16613 nm, 1057.89 cm-1, respectively. For the B2E+ state, the present values of De, Be, αe, ωeχe, Re and We are 3.506 eV, 0.677561 cm-1, 0.00603298 cm-1, 5.68809 cm-1, 0.1696 nm, 822.554 cm-1, respectively. For these states, the vibrational states with the rotational quantum number J equals zero (J = 0) are studied by solving the radial nuclear Schr6dinger equation using the Numerov method. For each vibrational state, the vibrational level, the classical turning points, the rotational inertial and the centrifugal distortion constants are calculated. Comparison is made with recent theoretical and experimental results.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11147158 and 11264020the Jiangxi Province Natural Science Foundation under Grant No 2010GQW0031the Jiangxi Province Scientific Research Program of the Education Bureau under Grant No GJJ12483
文摘The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD (T) method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.
基金Project supported by the National Natural Science Foundation of China (Grant No 10574039), the Henan Innovation for University Prominent Research Talents (Grant No 2006KYCX002) and the National Natural Science Foundation of Education Bureau of Henan Province, China (Grant No 2007140015). We heartily thank Professor Zhu Zheng-Hem of Sichuan University for his helpful discussion about the reasonable dissociation stages of these calculations limits during the planning
文摘The comparison between single-point energy scanning (SPES) and geometry optimization (OPT) in determining the equilibrium geometries of c^3∑g^+ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion (SAC-CI) method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^+ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies (We) and other spectroscopic data (ωeXe, Be and αe) are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.
文摘The multi-reference configuration interaction method and aug-cc-pvqz (AVQZ) have been used to calculate potential energy curves (PECs) of the singlet and triplet states of the riu and rig symmetry of B2++. All of the four states (^l∏u, ^1∏g, ^3∏u and ^3∏g) are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions (APEFs) of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion.
文摘The kinetic energy generation in either the dry or moist atmosphere may be estimated by the same relationships if we introduce the new concept of generalized available potential energy. The largest magnitude of generalized available potential energy and corresponding reference state of either dry or moist atmosphere are calculated in terms of the mitial conditions and entropy variation of the atmosphere. The obtained relationships are applicable for the statically unstable atmosphere as well. The generalized available potential energy associated with reversible processes reaches the maximum with respect to same initial state. While the generation of kinetic energy in irreversible processes is characterized by sudden changes. When the reference state is assumed to be saturated, we may predict the final temperature and moisture fields corresponding to provided initial state and entropy variation.
基金Project supported by the Basic Research Program of Education Bureau of Henan Province of China (Grant No 2008A140006)
文摘This paper applies the symmetry-aziapted-cluster/symmetry-adapted-cluster configuration-interaction (SAC/SACCI) method to optimize the structures for X^1∑^+, A^1 Ⅱ and C^1 ∑^- states of SiO molecule with the basis sets D95++, 6-311++G and 6-311++G^**. Comparing the obtained results with the experiments, it gets the conclusion that the basis set 6-311++G^** is most suitable for the optimal structure calculations of X^1.∑^+, A^Ⅱ and C^1∑^- states of SiO molecule. The whole potential energy curves for these electronic states are further scanned by using SAC/6-311++G^** method for the ground state and SAC-CI/6-311++G^** method for the excited states, then use a least square method to fit Murrell^Sorbie functions, at last the spectroscopic constants and force constants are calculated, which are in good agreement with the experimental data.
文摘The density functional method (B3P86/6-311G) is used for calculating the possible structures of SeC, SeO, and SeCO molecules. The result shows that the ground state of the SeC molecule is 1^∑, the equilibrium nuclear distance is RseC = 0.1699 nm, and the dissociation energy is De = 8.7246 eV. The ground state of the SeO molecule is 3^∑, with equilibrium nuclear distance RseO=0.1707 nm and dissociation energy De = 7.0917 eV. There are two structures for the ground state of the SeCO molecule: Se=C=O and Se=O=C. The linear Se=C=O is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rsec = 0.1715 nm, Rco = 0.1176 nm and 18.8492 eV, respectively. The other structure Se=O=C is 1^∑. Its equilibrium nuclear distances and dissociation energy are Rco = 0.1168 nm, RSeO= 0.1963 nm and 15.5275 eV, respectively. The possible dissociative limit of the SeCO molecule is analyzed. The potential energy function for the SeCO molecule has been obtained from the many-body expansion theory. The contour of the potential energy curve describes the structure characters of the SeCO molecule. Furthermore, contours of the molecular stretching vibration based on this potential energy function are discussed.
基金supported by the Basic Research Program of Education Bureau of Henan Province,China (Grant No.2010A140008)the National Natural Science Foundation of China (Grant No.10774039)the Natural Science Foundation of Henan Province,China (Grant No.092300410249)
文摘This paper applies the density functional theory method to optimise the structure for X3A state of TiO molecule with the basis sets 6-31G, 6-31++G and 6-311G^**. Comparing the attained results with the experiments, it obtains the conclusion that the basis set 6-31++G is most suitable for the optimal structure calculations of X3A state of TiO molecule. The whole potential energy curve for the electronic state is further scanned by using B3P86/6-31++G method for the ground state, then it uses a least square fitted to Murrell-Sorbie functions, at last it calculates the spectroscopic constants and force constants, which are in better agreement with the experimental data.
基金Project supported by the National Natural Science Foundation of China (Grant No 10174019), the Natural Science Foundation of Henan Province, China (Grant No 2006,140008) and Henan Innovation for University Prominent Research Talents (Grant No 2006KYCX002).Acknowledgement We heartily thank Professor Zhu Zheng-He at Sichuan University for his helpful discussion about the reasonable dissociation limits during the planning stage of these calculations.
文摘The reasonable dissociation limit of the A^1∑+ state ^7LiH molecule is obtained. The accurate dissociation energy and the equilibrium geometry of this state are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space for the first time, The whole potential energy curve and the dipole moment function for the A^1∑+ state are calculated over a wide internuclear separation range from about 0.1 to 1.4 nm. The calculated equilibrium geometry and dissociation energy of this potential energy curve are of Re=0.2487 nm and De=1.064eV, respectively. The unusual negative values of the anharmonicity constant and the vibration-rotational coupling constant are of ωeXe=-4.7158cm^-1 and αe=0.08649cm^-1, respectively. The vertical excitation energy from the ground to the A^1∑+ state is calculated and the value is of 3.613eV at 0.15875nm (the equilibrium position of the ground state). The highly anomalous shape of this potential energy curve, which is exceptionally flat over a wide radial range around the equilibrium position, is discussed in detail. The harmonic frequency value of 502.47cm^-1 about this state is approximately estimated. Careful comparison of the theoretical determinations with those obtained by previous theories about the A^1∑+ state dissociation energy clearly shows that the present calculations are much closer to the experiments than previous theories, thus represents an improvement.
基金The project supported by National Natural Science Foundation of China under Grant Nos.10574039 and 10174019
文摘The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to 37ao.The complete potential energycurves are calculated at numbers of basis sets.All the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic constants.By comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),respectively.With the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=0.The vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available measurements.Good agreement is obtained.The centrifugal distortion constants of the first 32 vibrational states are also reported for the first time.The reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.