Inspired by the function of crucial components in photosystemⅡ(PSⅡ),electrochemical and dyesensitized photoelectrochemical(DSPEC)water oxidation devices were constructed by the selfassembly of well-designed amphipat...Inspired by the function of crucial components in photosystemⅡ(PSⅡ),electrochemical and dyesensitized photoelectrochemical(DSPEC)water oxidation devices were constructed by the selfassembly of well-designed amphipathic Ru(bda)-based catalysts(bda=2,2'-bipyrdine-6,6'-dicarbonoxyl acid)and aliphatic chain decorated electrode surfaces,forming lipid bilayer membrane(LBM)-like structures.The Ru(bda)catalysts on electrode-supported LBM films demonstrated remarkable water oxidation performance with different O-O formation mechanisms.However,compared to the slow charge transfer process,the O-O formation pathways did not determine the PEC water oxidation efficiency of the dyesensitized photoanodes,and the different reaction rates for similar catalysts with different catalytic paths did not determine the PEC performance of the DSPECs.Instead,charge transfer plays a decisive role in the PEC water oxidation rate.When an indolo[3,2-b]carbazole derivative was introduced between the Ru(bda)catalysts and aliphatic chain-modified photosensitizer in LBM films,serving as a charge transfer mediator for the tyrosine-histidine pair in PSⅡ,the PEC water oxidation performance of the corresponding photoanodes was dramatically enhanced.展开更多
A numerical model of hydraulic fracture propagation is introduced for a representative reservoir(Yuanba continental tight sandstone gas reservoir in Northeast Sichuan).Different parameters are considered,i.e.,the inte...A numerical model of hydraulic fracture propagation is introduced for a representative reservoir(Yuanba continental tight sandstone gas reservoir in Northeast Sichuan).Different parameters are considered,i.e.,the interlayer stress difference,the fracturing discharge rate and the fracturing fluid viscosity.The results show that these factors affect the gas and water production by influencing the fracture size.The interlayer stress difference can effectively control the fracture height.The greater the stress difference,the smaller the dimensionless reconstruction volume of the reservoir,while the flowback rate and gas production are lower.A large displacement fracturing construction increases the fracture-forming efficiency and expands the fracture size.The larger the displacement of fracturing construction,the larger the dimensionless reconstruction volume of the reservoir,and the higher the fracture-forming efficiency of fracturing fluid,the flowback rate,and the gas production.Low viscosity fracturing fluid is suitable for long fractures,while high viscosity fracturing fluid is suitable for wide fractures.With an increase in the fracturing fluid viscosity,the dimensionless reconstruction volume and flowback rate of the reservoir display a non-monotonic behavior,however,their changes are relatively small.展开更多
At present, the shortage of agricuItural water resources is worsening. In order to reduce the rice irrigation water and improve the utiIization of fertiIizers so as to achieve the high and stabIe yielding of rice, thi...At present, the shortage of agricuItural water resources is worsening. In order to reduce the rice irrigation water and improve the utiIization of fertiIizers so as to achieve the high and stabIe yielding of rice, this report reviewed the research advances in water and fertiIizer coupIing, the conception of water and fertiIizer cou-pIing and its three kinds of effects (synergy, antagonism, superposition), mechanism of water and fertiIizer coupIing, effects of water and fertiIizer coupIing on growth, deveIopment, yield and quality of rice and effects of water and fertiIizer coupIing on utiIization rate of nitrogen in rice. In addition, the deveIopment prospects of water and fertiIizer coupIing in China were described. It was proposed that the water and fertiIizer coupIing mode is an effective measure to achieve the high yield and quality of rice. According to actual demand, referring to the ideas of promoting fertiIizer with water and reguIating water with fertiIizer, reasonabIe water and fertiIizer cou-pIing mode can be estabIished, thereby improving the utiIization efficiencies of water and fertiIizer. In the premise of saving irrigation water and no increasing fertiIization amount, both high yielding and Iess poI ution can be achieved, providing theoretical and technical basis for water-saving agricuIture and cuItivation and management of rice in future.展开更多
Objective This study aimed to efficiently reduce the release of radon from water bodies to protect the environment.Methods Based on the sizes of the experimental setup and modular float,computational fluid dynamics(CF...Objective This study aimed to efficiently reduce the release of radon from water bodies to protect the environment.Methods Based on the sizes of the experimental setup and modular float,computational fluid dynamics(CFD)was used to assess the impact of the area coverage rate,immersion depth,diffusion coefficient,and radon transfer velocity at the gas–liquid interface on radon migration and exhalation of radon-containing water.Based on the numerical simulation results,an estimation model for the radon retardation rate was constructed.The effectiveness of the CFD simulation was evaluated by comparing the experimental and simulated variation values of the radon retardation rate with the coverage area rates.Results The effect of radon transfer velocity on radon retardation in water bodies was minor and insignificant according to the appropriate value;therefore,an estimation model of the radon retardation rate of the coverage of a radon-containing water body was constructed using the synergistic impacts of three factors:area coverage rate,immersion depth,and diffusion coefficient.The deviation between the experimental and simulated results was<4.3%.Conclusion Based on the numerical simulation conditions,an estimation model of the radon retardation rate of covering floats in water bodies under the synergistic effect of multiple factors was obtained,which provides a reference for designing covering floats for radon retardation in radoncontaining water.展开更多
Photocatalytic splitting of water over p-type semiconductors is a promising strategy for production of hydrogen.However,the determination of rate law is rarely reported.To this purpose,copper oxide(CuO)is selected as ...Photocatalytic splitting of water over p-type semiconductors is a promising strategy for production of hydrogen.However,the determination of rate law is rarely reported.To this purpose,copper oxide(CuO)is selected as a model photocathode in this study,and the photogenerated surface charge density,interfacial charge transfer rate constant and their relation to the water reduction rate(in terms of photocurrent)were investigated by a combination of(photo)electrochemical techniques.The results showed that the charge transfer rate constant is exponential-dependent on the surface charge density,and that the photocurrent equals to the product of the charge transfer rate constant and surface charge density.The reaction is first-order in terms of surface charge density.Such an unconventional rate law contrasts with the reports in literature.The charge density-dependent rate constant results from the Fermi level pinning(i.e.,Galvani potential is the main driving force for the reaction)due to accumulation of charge in the surface states and/or Frumkin behavior(i.e.,chemical potential is the main driving force).This study,therefore,may be helpful for further investigation on the mechanism of hydrogen evolution over a CuO photocathode and for designing more efficient CuO-based photocatalysts.展开更多
Electrochemical production of hydrogen from water requires the development ofelectrocatalysts that are active,stable,and low-cost for water splitting.To address these challenges,researchers are increasingly exploring ...Electrochemical production of hydrogen from water requires the development ofelectrocatalysts that are active,stable,and low-cost for water splitting.To address these challenges,researchers are increasingly exploring binder-free electrocatalytic integratedelectrodes (IEs) as an alternative to conventional powder-based electrode preparation methods,for the former is highly desirable to improve the catalytic activity and long-term stability for large-scale applications of electrocatalysts.Herein,we demonstrate a laser-inducedhydrothermal reaction (LIHR) technique to grow NiMoO4nanosheets on nickel foam,which is then calcined under H2/Ar mixed gases to prepare the IE IE-NiMo-LR.This electrode exhibits superior hydrogen evolution reaction performance,requiring overpotentials of 59,116 and143 mV to achieve current densities of 100,500 and 1000 mA·cm-2.During the 350 h chronopotentiometry test at current densities of 100 and 500 m A·cm-2,the overpotentialremains essentially unchanged.In addition,NiFe-layered double hydroxide grown on Ni foam is also fabricated with the same LIHR method and coupled with IE-NiMo-IR to achieve water splitting.This combination exhibits excellent durability under industrial current density.The energy consumption and production efficiency of the LIHR method are systematicallycompared with the conventional hydrothermal method.The LIHR method significantly improves the production rate by over 19 times,while consuming only 27.78%of the total energy required by conventional hydrothermal methods to achieve the same production.展开更多
Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves...Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves challenging.This study introduces novel rate transient analysis methods incorporating evaluation processes based on the conventional flowing material balance method and the Blasingame type-curve method to examine fractured gas wells producing water.By positing a gas-water two-phase equivalent homogenous phase that considers characteristics of mobile water,gas,and high stress sensitivity,the conventional single-phase rate transient analysis methods can be applied by integrating the phase's characteristics and defining the phase's normalized parameters and material balance pseudotime.The rate transient analysis methods based on the equivalent homogenous phase can be used to quantitatively assess the parameters of wells and gas reservoirs,such as original gas-in-place,fracture half-length,reservoir permeability,and well drainage radius.This facilitates the analysis of production dynamics of fractured wells and well-controlled areas,subsequently aiding in locating residual gas and guiding the configuration of well patterns.The specific evaluation processes are detailed.Additionally,a numerical simulation mechanism model was constructed to verify the reliability of the developed methods.The methods introduced have been successfully implemented in field water-producing gas wells within tight gas reservoirs containing mobile water.展开更多
In order to improve the effect of water control and oil stabilization during high water cut period, a mathematical model of five point method well group was established with the high water cut well group of an Oilfiel...In order to improve the effect of water control and oil stabilization during high water cut period, a mathematical model of five point method well group was established with the high water cut well group of an Oilfield as the target area, the variation law of water cut and recovery factor of different injection parameters was analyzed, and the optimization research of injection parameters of polymer enhanced foam flooding was carried out. The results show that the higher the injection rate, the lower the water content curve, and the higher the oil recovery rate. As the foam defoamed when encountering oil, when the injection time was earlier than 80% of water cut, the later the injection time was, the better the oil displacement effect would be. When the injection time was later than 80% of water cut, the later the injection time was, the worse the oil displacement effect would be. The larger the injection volume, the lower the water content curve and the higher the recovery rate. After the injection volume exceeded 0.2 PV, the amplitude of changes in water content and recovery rate slowed down. The optimal injection parameters of profile control agent for high water content well group in Oilfield A were: injection rate of 15 m<sup>3</sup>/d, injection timing of 80% water content, and injection volume of 0.2 PV.展开更多
Sowing date and seeding rate are critical for productivity of winter wheat(Triticum aestivum L.).A three-year field experiment was conducted with three sowing dates(20 September(SD1),1 October(SD2),and 10 October(SD3)...Sowing date and seeding rate are critical for productivity of winter wheat(Triticum aestivum L.).A three-year field experiment was conducted with three sowing dates(20 September(SD1),1 October(SD2),and 10 October(SD3)) and three seeding rates(SR67.5,SR90,and SR112.5) to determine suitable sowing date and seeding rate for high wheat yield.A large seasonal variation in accumulated temperature from sowing to winter dormancy was observed among three growing seasons.Suitable sowing dates for strong seedlings before winter varied with the seasons,that was SD2 in 2012–2013,SD3 in 2013–2014,and SD2 as well as SD1 in 2014–2015.Seasonal variation in precipitation during summer fallow also had substantial effects on soil water storage,and consequently influenced grain yield through soil water consumption from winter dormancy to maturity stages.Lower consumption of soil water from winter dormancy to booting stages could make more water available for productive growth from anthesis to maturity stages,leading to higher grain yield.SD2 combined with SR90 had the lowest soil water consumption from winter dormancy to booting stages in 2012–2013 and 2014–2015; while in 2013–2014,it was close to that with SR67.5 or SR112.5.For productive growth from anthesis to maturity stages,SD2 with SR90 had the highest soil water consumption in all three seasons.The highest water consumption in the productive growth period resulted in the best grain yield in both low and high rainfall years.Ear number largely contributed to the seasonal variation in grain yield,while grain number per ear and 1 000-grain weight also contributed to grain yield,especially when soil water storage was high.Our results indicate that sowing date and seeding rate affect grain yield through seedling development before winter and also affect soil water consumption in different growth periods.By selecting the suitable sowing date(1 October) in combination with the proper seeding rate of 90 kg ha–1,the best yield was achieved.Based on these results,we recommend that the current sowing date be delayed from 22 or 23 September to 1 October.展开更多
Tackling the problems of underground water storage in collieries in arid regions requires knowledge of the effect of water intrusion and loading rate on the mechanical properties of and crack development in coal–rock...Tackling the problems of underground water storage in collieries in arid regions requires knowledge of the effect of water intrusion and loading rate on the mechanical properties of and crack development in coal–rock combinations. Fifty-four coal–rock combinations were prepared and split equally into groups containing different moisture contents(dry, natural moisture and saturated) to conduct acoustic emission testing under uniaxial compression with loading rates ranging from 0.1 mm/min to 0.6 mm/min. The results show that the peak stress and strength-softening modulus, elastic modulus, strain-softening modulus, and post-peak modulus partly decrease with increasing moisture content and loading rate. In contrast, peak strain increases with increasing moisture content and fluctuates with rising loading rate. More significantly, the relationship between stiffness and stress, combined with accumulated counts of acoustic emission, can be used to precisely predict all phases of crack propagation. This is helpful in studying the impact of moisture content and loading rate on crack propagation and accurately calculating mechanical properties. We also determined that the stress thresholds of crack closure, crack initiation, and crack damage do not vary with changes of moisture content and loading rate, constituting 15.22%, 32.20%, and 80.98% of peak stress, respectively. These outcomes assist in developing approaches to water storage in coal mines, determining the necessary width of waterproof coal–rock pillars, and methods of supporting water-enriched roadways, while also advances understanding the mechanical properties of coal–rock combinations and laws of crack propagation.展开更多
Formation water invasion is the most troublesome problem associated with air drilling. However, it is not economical to apply mist drilling when only a small amount of water flows into wellbore from formation during a...Formation water invasion is the most troublesome problem associated with air drilling. However, it is not economical to apply mist drilling when only a small amount of water flows into wellbore from formation during air drilling. Formation water could be circulated out of the wellbore through increasing the gas injection rate. In this paper, the Angel model was modified by introducing Nikurade friction factor for the flow in coarse open holes and translating formation water rate into equivalent penetration rate. Thus the distribution of annular pressure and the relationship between minimum air injection rate and formation water rate were obtained. Real data verification indicated that the modified model is more accurate than the Angel model and can provide useful information for air drilling.展开更多
Grey system analysis method was used to study the correlation between water pollution in D Lake area and death rate of malignancy with death rate of malignancy as effect sequence and a variety of water pollution index...Grey system analysis method was used to study the correlation between water pollution in D Lake area and death rate of malignancy with death rate of malignancy as effect sequence and a variety of water pollution index as factor sequence. On the basis of grey correlation analysis, grey system predication model was established for death rate of malignancy in population in D Lake area including GM (1, N) model for death rate of malignancy [ MR (t+1) =(9.9987E 1+5.0001E 2 +10.8994E 3+1.1114E 4+165.1029) ·e -0.0070t -9.9987E 1-5.0001E 2-10.8994E 3-1.1114E 4 ] and GM (1, 1) model for related factors [ E 1(t+1) =52.1214-46.9468e -0.0058t , E 2(t+1) =4.6114-4.5664e 0.0015t, E 3(t+1) =1.1389-1.1212e 0.0065t , E 4(t+1) = 554.5867-549.8006e 0.0016t ], and the trend of death rate of malignancy from 2000 to 2010 was predicted.展开更多
temperature and the diasolved oxygen content affect the oxygen consumption of juveniles of Chinese prawn (Penaeus chinensis), giant tiger prawn (P. monodon) and giant freshwater prawn(Macrobrachium rosenbergii). There...temperature and the diasolved oxygen content affect the oxygen consumption of juveniles of Chinese prawn (Penaeus chinensis), giant tiger prawn (P. monodon) and giant freshwater prawn(Macrobrachium rosenbergii). There is good correlation between the oxygen consumption rate (V, mg/g·h) of the above three prawn species and the water temperature, and dissolved oxygen. In the range of test temperature, V increased with water temperature and diassolved oxygen content. The V of the above three prawn species increased 0.085 mg/g·h, 0. 093 mg/g·h and 0. 08 mg/g·h respectively with each ℃ of rising temperature. The comatose point and stifling point of the juveniles rose obviously at unsuitable temperature.展开更多
For estimating the long-term stability of underground framework,it is vital to learn the mechanical and rheological characteristics of rock in multiple water saturation conditions.However,the majority of previous stud...For estimating the long-term stability of underground framework,it is vital to learn the mechanical and rheological characteristics of rock in multiple water saturation conditions.However,the majority of previous studies explored the rheological properties of rock in air-dried and water saturated conditions,as well as the water effects on compressive and tensile strengths.In this study,andesite was subjected to direct shear tests under five water saturation conditions,which were controlled by varying the wetting and drying time.The tests were conducted at alternating displacement rates under three vertical stresses.The results reveal that the shear strength decreases exponentially as water saturation increases,and that the increase in shear strength with a tenfold increase in displacement rate is nearly constant for each of the vertical stresses.Based on the findings of the shear tests in this study and the compression and tension tests in previous studies,the influences of both water saturation and loading rate on the Hoek-Brown failure criterion for the andesite was examined.These results indicate that the brittleness index of the andesite,which is defined as the ratio of uniaxial compressive strength to tensile strength,is independent of both water saturation and loading rate and that the influences of the water saturation dependence and the loading rate dependence of the failure criterion can be converted between each other.展开更多
The annual subduction rate in the South Indian Ocean was calculated by analyzing Simple Ocean Data Assimilation (SODA) outputs in the period of 1950-2008. The subduction rate census for potential density classes sho...The annual subduction rate in the South Indian Ocean was calculated by analyzing Simple Ocean Data Assimilation (SODA) outputs in the period of 1950-2008. The subduction rate census for potential density classes showed a peak corresponding to Indian Ocean subtropical mode water (IOSTMW) in the southwestern part of the South Indian Ocean subtropical gyre. The deeper mixed layer depth, the sharper mixed-layer fronts and the associated relatively faster circulation in the present climatology resulted in a larger lateral induction, which primarily dominants the IOSTMW subduction rate, while with only minor contribution from vertical pumping. Without loss of generality, through careful analysis of the water characteristics in the layer of minimum vertical temperature gradient (LMVTG), the authors suggest that the IOSTMW was identified as a thermostad, with a lateral minimum of low potential vorticity (PV, less than 200× 10^-12 m^-1·s^-1) and a low dT/dz (less than 1.5℃/(100 m)). The IOSTMW within the South Indian Ocean subtropical gyre distributed in the region approximately from 25° to 50° E and from 30° to 39°S. Additionally, the average characteristics (temperature, salinity, potential density) of the mode water were estimated about (16.38 ± 0.29)℃, (35.46 ±0.04), (26.02 ±0.04) ae over the past 60 years.展开更多
Agriculture plays a vital role in the growth and development of the High Plains Region of the United States. With the development and adoption of irrigation technology, this region was transformed into one of the most...Agriculture plays a vital role in the growth and development of the High Plains Region of the United States. With the development and adoption of irrigation technology, this region was transformed into one of the most agriculturally productive regions in the world [1]. The primary source of irrigation in this region is the Ogallala Aquifer. Currently, water from the aquifer is being used at a much faster rate than natural recharge can occur, resulting in a high rate of depletion from this finite resource. Depletion of scarce water resources will have a significant economic impact on the long-term sustainability of the region. The objective of this study is to evaluate the impact alternative prices and discount rates have on groundwater policy recommendations. Deterministic models of groundwater withdrawals were developed and used in order to analyze and evaluate the impact of high, average, and low crop prices in a status quo scenario as well as a policy scenario reducing irrigated acreage allocation. Furthermore, this study analyzes the effects and associated consequences of alternative discount rates on net and total revenue. As indicated by results of this study, alternative prices, costs, and discount rates utilized in a model have an effect on policy effectiveness.展开更多
The paper was to study the effects of seeding rate, water and fertilizer ( N, P, K) coupling on grass yield of forage millet Jigu No. 18 (Setaria itlica). A quadratic regression otthogonal rotation combination wit...The paper was to study the effects of seeding rate, water and fertilizer ( N, P, K) coupling on grass yield of forage millet Jigu No. 18 (Setaria itlica). A quadratic regression otthogonal rotation combination with five factors was designed in pot experiment. The mathematical model between hay yield of forage millet (Y) and soil moisture content ( x1 ), N fertilizer (x2 ), P fertilizer (x3 ), K fertilizer (x4) and seeding rate (x5 ) was established to simulate optimization. The results showed that moisture content, seeding rate, P fertilizer and K fertilizer had important effects on hay yield. Soil moisture content had the biggest impact on yield, followed by seeding rate, P and K fertilizer. The coupling effects of various factors successively were moisture content / seeding rate 〉 K fertil- izer/seeding rate 〉 N / P fertilizer 〉 soil moisture/N fertilizer 〉 soil moisture/ P fertilizer. Moreover, the mathematical model, Y = 20 543. 756 - 565. 570xI -39. 942x2 -23. 102x3 -38. 470x4 - 151. 877x5 + 1. 052x^x2 + 1. 604xIx3 + 12. 953xt x5 - 0. 173x2x3 + 0. 737x4x5 - 2. 292x5^2, was established. The optimum soil moisture and seeding rate were determined as 10% andl5 kg/hm2, respectively. In this scheme, the hay yield was 14 037. 151 0 kg/hm^2 and the economic benefit was 13 887.15 yuan/hm^2 ; the income was increased by 23.68% ( 3 288.98 yuan/hm^2 ) compared to the optimal combination in the test. The results provided a theoretical basis and technical support for forage millet production in Hebei Province.展开更多
To study the influence of sowing rate,water and fertilizer( N,P and K) coupling on water use efficiency of fodder millet grown in autumn fallow field,taking " Jigu 18" as the tested material,a orthogonal rot...To study the influence of sowing rate,water and fertilizer( N,P and K) coupling on water use efficiency of fodder millet grown in autumn fallow field,taking " Jigu 18" as the tested material,a orthogonal rotation combination with five factors was designed in pot experiment. Results showed that both water and phosphate fertilizer had important impacts on water use efficiency,in which water had the maximum impact,followed by phosphate fertilizer,and nitrogen fertilizer,potassium fertilizer and sowing rate all had no obvious impact. Significant item of sowing rate,water and fertilizer coupling had the below sequence: potassium fertilizer + sowing rate > nitrogen fertilizer + phosphate fertilizer > water + phosphate fertilizer > water + sowing rate > water + potassium fertilizer,and other items had no obvious impact. Mathematical model was established: y = 44. 26- 1. 311x1- 2. 298x2- 3. 682x3- 6. 401x4- 34. 540x5+ 0. 273x1x3+ 0. 118x1x4+ 0. 843x1x5- 1. 948x2x3+ 6. 631x4x5. The optimal scheme taking economic benefit as the examining index was cleared,that is,soil water content maintained 10%,and sowing rate of fodder millet was 15 kg / hm2. By the scheme,water use efficiency was 26. 24 g / kg,and hay yield was13980. 90 kg / hm2,with economic benefit of 13830. 90 yuan/hm2,which was 3063. 73 yuan/hm2 more than the optimized combination with the highest hay yield,with increase magnitude of 22. 15%,and was 6215. 15 yuan / hm2 more than the optimized combination with the highest water use efficiency,with increase magnitude of 44. 94%. The research could provide theoretic basis and technical support for production practice of fodder millet grown in autumn fallow field.展开更多
This paper presents the predictability of aluminium-manganese alloy exposure time based on its as-cast weight and corrosion rate in sea water environment. The validity of the derived model: α = 26.67γ + 0.55β?- 0.2...This paper presents the predictability of aluminium-manganese alloy exposure time based on its as-cast weight and corrosion rate in sea water environment. The validity of the derived model: α = 26.67γ + 0.55β?- 0.29 is rooted on the core expression: 0.0375α = γ + 0.0206β?- 0.0109 where both sides of the expression are correspondingly approximately equal. Statistical analysis of model-predicted and experimentally evaluated exposure time for each value of as-cast weight and alloy corrosion rate considered shows a standard error of 0.0017% & 0.0044% and 0.0140% & 0.0150% respectively. The depths of corrosion penetration (at increasing corrosion rate: 0.0104 - 0.0157 mm/yr) as predicted by derived model and obtained from experiment are 0.7208 × 10-4 & 1.0123 × 10-4 mm and 2.5460 × 10-4 & 1.8240 × 10-4 mm (at decreasing corrosion rate: 0.0157 - 0.0062 mm/yr) respectively. Deviational analysis indicates that the maxi- mum deviation of the model-predicted alloy exposure time from the corresponding experimental value is less than 10%.展开更多
The new theoretical models describe both the solubility S of the shot chain n-alkanes in water at 298.15 K, and their reaction rate constants k with nitronium cation NO<sub>2</sub><sup>+ </sup>...The new theoretical models describe both the solubility S of the shot chain n-alkanes in water at 298.15 K, and their reaction rate constants k with nitronium cation NO<sub>2</sub><sup>+ </sup>at 293.15 K on the basis of their molecular orbital characteristics. It is shown that both the quantities S and k are determined by the energies E<sub>orb</sub> of the specific virtual (for S) and occupied (for k) molecular orbitals of these n-alkanes. The obtained regression equations confirm the theoretically found dependences of S and k on the absolute value of E<sub>orb</sub>. This fact demonstrates that the electronic structure particularities of the studied n-alkanes play a crucial role in both their above-mentioned physicochemical properties.展开更多
基金conducted by the Fundamental Research Center of Artificial Photosynthesis(FReCAP)financially supported by the National Natural Science Foundation of China(22172011 and 22088102)+1 种基金the National Key R&D Program of China(2022YFA0911904)the Fundamental Research Funds for the Central Universities(DUT22LK06,DUT22QN213 and DUT23LAB611)。
文摘Inspired by the function of crucial components in photosystemⅡ(PSⅡ),electrochemical and dyesensitized photoelectrochemical(DSPEC)water oxidation devices were constructed by the selfassembly of well-designed amphipathic Ru(bda)-based catalysts(bda=2,2'-bipyrdine-6,6'-dicarbonoxyl acid)and aliphatic chain decorated electrode surfaces,forming lipid bilayer membrane(LBM)-like structures.The Ru(bda)catalysts on electrode-supported LBM films demonstrated remarkable water oxidation performance with different O-O formation mechanisms.However,compared to the slow charge transfer process,the O-O formation pathways did not determine the PEC water oxidation efficiency of the dyesensitized photoanodes,and the different reaction rates for similar catalysts with different catalytic paths did not determine the PEC performance of the DSPECs.Instead,charge transfer plays a decisive role in the PEC water oxidation rate.When an indolo[3,2-b]carbazole derivative was introduced between the Ru(bda)catalysts and aliphatic chain-modified photosensitizer in LBM films,serving as a charge transfer mediator for the tyrosine-histidine pair in PSⅡ,the PEC water oxidation performance of the corresponding photoanodes was dramatically enhanced.
文摘A numerical model of hydraulic fracture propagation is introduced for a representative reservoir(Yuanba continental tight sandstone gas reservoir in Northeast Sichuan).Different parameters are considered,i.e.,the interlayer stress difference,the fracturing discharge rate and the fracturing fluid viscosity.The results show that these factors affect the gas and water production by influencing the fracture size.The interlayer stress difference can effectively control the fracture height.The greater the stress difference,the smaller the dimensionless reconstruction volume of the reservoir,while the flowback rate and gas production are lower.A large displacement fracturing construction increases the fracture-forming efficiency and expands the fracture size.The larger the displacement of fracturing construction,the larger the dimensionless reconstruction volume of the reservoir,and the higher the fracture-forming efficiency of fracturing fluid,the flowback rate,and the gas production.Low viscosity fracturing fluid is suitable for long fractures,while high viscosity fracturing fluid is suitable for wide fractures.With an increase in the fracturing fluid viscosity,the dimensionless reconstruction volume and flowback rate of the reservoir display a non-monotonic behavior,however,their changes are relatively small.
基金Supported by National Key Technology Research and Development Program(2011BAD16B01,2012BAD04B10,2013BAD07B11)~~
文摘At present, the shortage of agricuItural water resources is worsening. In order to reduce the rice irrigation water and improve the utiIization of fertiIizers so as to achieve the high and stabIe yielding of rice, this report reviewed the research advances in water and fertiIizer coupIing, the conception of water and fertiIizer cou-pIing and its three kinds of effects (synergy, antagonism, superposition), mechanism of water and fertiIizer coupIing, effects of water and fertiIizer coupIing on growth, deveIopment, yield and quality of rice and effects of water and fertiIizer coupIing on utiIization rate of nitrogen in rice. In addition, the deveIopment prospects of water and fertiIizer coupIing in China were described. It was proposed that the water and fertiIizer coupIing mode is an effective measure to achieve the high yield and quality of rice. According to actual demand, referring to the ideas of promoting fertiIizer with water and reguIating water with fertiIizer, reasonabIe water and fertiIizer cou-pIing mode can be estabIished, thereby improving the utiIization efficiencies of water and fertiIizer. In the premise of saving irrigation water and no increasing fertiIization amount, both high yielding and Iess poI ution can be achieved, providing theoretical and technical basis for water-saving agricuIture and cuItivation and management of rice in future.
基金supported by a grant from the National Natural Science Foundation of China(Grant nos.31770907,31640022)the National Natural Science Foundation of China(Grant No.11575080)the Natural Science Foundation of Hunan Province,China(Grant No.2022JJ30482).
文摘Objective This study aimed to efficiently reduce the release of radon from water bodies to protect the environment.Methods Based on the sizes of the experimental setup and modular float,computational fluid dynamics(CFD)was used to assess the impact of the area coverage rate,immersion depth,diffusion coefficient,and radon transfer velocity at the gas–liquid interface on radon migration and exhalation of radon-containing water.Based on the numerical simulation results,an estimation model for the radon retardation rate was constructed.The effectiveness of the CFD simulation was evaluated by comparing the experimental and simulated variation values of the radon retardation rate with the coverage area rates.Results The effect of radon transfer velocity on radon retardation in water bodies was minor and insignificant according to the appropriate value;therefore,an estimation model of the radon retardation rate of the coverage of a radon-containing water body was constructed using the synergistic impacts of three factors:area coverage rate,immersion depth,and diffusion coefficient.The deviation between the experimental and simulated results was<4.3%.Conclusion Based on the numerical simulation conditions,an estimation model of the radon retardation rate of covering floats in water bodies under the synergistic effect of multiple factors was obtained,which provides a reference for designing covering floats for radon retardation in radoncontaining water.
基金the National Basic Research Development of China(2011CB936003)the National Natural Science Foundation of China(50971116)。
文摘Photocatalytic splitting of water over p-type semiconductors is a promising strategy for production of hydrogen.However,the determination of rate law is rarely reported.To this purpose,copper oxide(CuO)is selected as a model photocathode in this study,and the photogenerated surface charge density,interfacial charge transfer rate constant and their relation to the water reduction rate(in terms of photocurrent)were investigated by a combination of(photo)electrochemical techniques.The results showed that the charge transfer rate constant is exponential-dependent on the surface charge density,and that the photocurrent equals to the product of the charge transfer rate constant and surface charge density.The reaction is first-order in terms of surface charge density.Such an unconventional rate law contrasts with the reports in literature.The charge density-dependent rate constant results from the Fermi level pinning(i.e.,Galvani potential is the main driving force for the reaction)due to accumulation of charge in the surface states and/or Frumkin behavior(i.e.,chemical potential is the main driving force).This study,therefore,may be helpful for further investigation on the mechanism of hydrogen evolution over a CuO photocathode and for designing more efficient CuO-based photocatalysts.
基金financial support from The University of Manchester to cover his PhD tuition fees for him to carry out this workChina National High-end Foreign Experts Recruitment Plan Project (G2023018001L) for partially supporting the work。
文摘Electrochemical production of hydrogen from water requires the development ofelectrocatalysts that are active,stable,and low-cost for water splitting.To address these challenges,researchers are increasingly exploring binder-free electrocatalytic integratedelectrodes (IEs) as an alternative to conventional powder-based electrode preparation methods,for the former is highly desirable to improve the catalytic activity and long-term stability for large-scale applications of electrocatalysts.Herein,we demonstrate a laser-inducedhydrothermal reaction (LIHR) technique to grow NiMoO4nanosheets on nickel foam,which is then calcined under H2/Ar mixed gases to prepare the IE IE-NiMo-LR.This electrode exhibits superior hydrogen evolution reaction performance,requiring overpotentials of 59,116 and143 mV to achieve current densities of 100,500 and 1000 mA·cm-2.During the 350 h chronopotentiometry test at current densities of 100 and 500 m A·cm-2,the overpotentialremains essentially unchanged.In addition,NiFe-layered double hydroxide grown on Ni foam is also fabricated with the same LIHR method and coupled with IE-NiMo-IR to achieve water splitting.This combination exhibits excellent durability under industrial current density.The energy consumption and production efficiency of the LIHR method are systematicallycompared with the conventional hydrothermal method.The LIHR method significantly improves the production rate by over 19 times,while consuming only 27.78%of the total energy required by conventional hydrothermal methods to achieve the same production.
文摘Tight gas reservoirs with mobile water exhibit multi-phase flow and high stress sensitivity.Accurately analyzing the reservoir and well parameters using conventional single-phase rate transient analysis methods proves challenging.This study introduces novel rate transient analysis methods incorporating evaluation processes based on the conventional flowing material balance method and the Blasingame type-curve method to examine fractured gas wells producing water.By positing a gas-water two-phase equivalent homogenous phase that considers characteristics of mobile water,gas,and high stress sensitivity,the conventional single-phase rate transient analysis methods can be applied by integrating the phase's characteristics and defining the phase's normalized parameters and material balance pseudotime.The rate transient analysis methods based on the equivalent homogenous phase can be used to quantitatively assess the parameters of wells and gas reservoirs,such as original gas-in-place,fracture half-length,reservoir permeability,and well drainage radius.This facilitates the analysis of production dynamics of fractured wells and well-controlled areas,subsequently aiding in locating residual gas and guiding the configuration of well patterns.The specific evaluation processes are detailed.Additionally,a numerical simulation mechanism model was constructed to verify the reliability of the developed methods.The methods introduced have been successfully implemented in field water-producing gas wells within tight gas reservoirs containing mobile water.
文摘In order to improve the effect of water control and oil stabilization during high water cut period, a mathematical model of five point method well group was established with the high water cut well group of an Oilfield as the target area, the variation law of water cut and recovery factor of different injection parameters was analyzed, and the optimization research of injection parameters of polymer enhanced foam flooding was carried out. The results show that the higher the injection rate, the lower the water content curve, and the higher the oil recovery rate. As the foam defoamed when encountering oil, when the injection time was earlier than 80% of water cut, the later the injection time was, the better the oil displacement effect would be. When the injection time was later than 80% of water cut, the later the injection time was, the worse the oil displacement effect would be. The larger the injection volume, the lower the water content curve and the higher the recovery rate. After the injection volume exceeded 0.2 PV, the amplitude of changes in water content and recovery rate slowed down. The optimal injection parameters of profile control agent for high water content well group in Oilfield A were: injection rate of 15 m<sup>3</sup>/d, injection timing of 80% water content, and injection volume of 0.2 PV.
基金supported by the earmarked fund for China Agriculture Research System (CARS-0301-24)the National Natural Science Foundation of China (31771727)+5 种基金the National Key Technology R&D Program of China (2015BAD23B04-2)The research project was also supported by the Shanxi Scholarship Council,China (2015Key 4)the Shanxi Science and Technology Innovation Team Project,China (201605D131041)the Jinzhong Science and Technology Plan Project,China (Y172007-2)the Sanjin Scholar Support Special Funds,Chinathe Special Fund for Agro-scientific Research in the Public Interest,China (201503120)
文摘Sowing date and seeding rate are critical for productivity of winter wheat(Triticum aestivum L.).A three-year field experiment was conducted with three sowing dates(20 September(SD1),1 October(SD2),and 10 October(SD3)) and three seeding rates(SR67.5,SR90,and SR112.5) to determine suitable sowing date and seeding rate for high wheat yield.A large seasonal variation in accumulated temperature from sowing to winter dormancy was observed among three growing seasons.Suitable sowing dates for strong seedlings before winter varied with the seasons,that was SD2 in 2012–2013,SD3 in 2013–2014,and SD2 as well as SD1 in 2014–2015.Seasonal variation in precipitation during summer fallow also had substantial effects on soil water storage,and consequently influenced grain yield through soil water consumption from winter dormancy to maturity stages.Lower consumption of soil water from winter dormancy to booting stages could make more water available for productive growth from anthesis to maturity stages,leading to higher grain yield.SD2 combined with SR90 had the lowest soil water consumption from winter dormancy to booting stages in 2012–2013 and 2014–2015; while in 2013–2014,it was close to that with SR67.5 or SR112.5.For productive growth from anthesis to maturity stages,SD2 with SR90 had the highest soil water consumption in all three seasons.The highest water consumption in the productive growth period resulted in the best grain yield in both low and high rainfall years.Ear number largely contributed to the seasonal variation in grain yield,while grain number per ear and 1 000-grain weight also contributed to grain yield,especially when soil water storage was high.Our results indicate that sowing date and seeding rate affect grain yield through seedling development before winter and also affect soil water consumption in different growth periods.By selecting the suitable sowing date(1 October) in combination with the proper seeding rate of 90 kg ha–1,the best yield was achieved.Based on these results,we recommend that the current sowing date be delayed from 22 or 23 September to 1 October.
基金Project(2014QNB31)supported by the Fundamental Research Funds for the Central Universities,ChinaProjects(51674248)supported by the National Natural Science Foundation of ChinaProject supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD),China
文摘Tackling the problems of underground water storage in collieries in arid regions requires knowledge of the effect of water intrusion and loading rate on the mechanical properties of and crack development in coal–rock combinations. Fifty-four coal–rock combinations were prepared and split equally into groups containing different moisture contents(dry, natural moisture and saturated) to conduct acoustic emission testing under uniaxial compression with loading rates ranging from 0.1 mm/min to 0.6 mm/min. The results show that the peak stress and strength-softening modulus, elastic modulus, strain-softening modulus, and post-peak modulus partly decrease with increasing moisture content and loading rate. In contrast, peak strain increases with increasing moisture content and fluctuates with rising loading rate. More significantly, the relationship between stiffness and stress, combined with accumulated counts of acoustic emission, can be used to precisely predict all phases of crack propagation. This is helpful in studying the impact of moisture content and loading rate on crack propagation and accurately calculating mechanical properties. We also determined that the stress thresholds of crack closure, crack initiation, and crack damage do not vary with changes of moisture content and loading rate, constituting 15.22%, 32.20%, and 80.98% of peak stress, respectively. These outcomes assist in developing approaches to water storage in coal mines, determining the necessary width of waterproof coal–rock pillars, and methods of supporting water-enriched roadways, while also advances understanding the mechanical properties of coal–rock combinations and laws of crack propagation.
文摘Formation water invasion is the most troublesome problem associated with air drilling. However, it is not economical to apply mist drilling when only a small amount of water flows into wellbore from formation during air drilling. Formation water could be circulated out of the wellbore through increasing the gas injection rate. In this paper, the Angel model was modified by introducing Nikurade friction factor for the flow in coarse open holes and translating formation water rate into equivalent penetration rate. Thus the distribution of annular pressure and the relationship between minimum air injection rate and formation water rate were obtained. Real data verification indicated that the modified model is more accurate than the Angel model and can provide useful information for air drilling.
基金ThisprojectwassupportedbyagrantfromtheNational"TheNinthFive YearPlan"ScienceandTechnologyKeyProjectofChina (No .96 9110 70 2 0 4 )
文摘Grey system analysis method was used to study the correlation between water pollution in D Lake area and death rate of malignancy with death rate of malignancy as effect sequence and a variety of water pollution index as factor sequence. On the basis of grey correlation analysis, grey system predication model was established for death rate of malignancy in population in D Lake area including GM (1, N) model for death rate of malignancy [ MR (t+1) =(9.9987E 1+5.0001E 2 +10.8994E 3+1.1114E 4+165.1029) ·e -0.0070t -9.9987E 1-5.0001E 2-10.8994E 3-1.1114E 4 ] and GM (1, 1) model for related factors [ E 1(t+1) =52.1214-46.9468e -0.0058t , E 2(t+1) =4.6114-4.5664e 0.0015t, E 3(t+1) =1.1389-1.1212e 0.0065t , E 4(t+1) = 554.5867-549.8006e 0.0016t ], and the trend of death rate of malignancy from 2000 to 2010 was predicted.
文摘temperature and the diasolved oxygen content affect the oxygen consumption of juveniles of Chinese prawn (Penaeus chinensis), giant tiger prawn (P. monodon) and giant freshwater prawn(Macrobrachium rosenbergii). There is good correlation between the oxygen consumption rate (V, mg/g·h) of the above three prawn species and the water temperature, and dissolved oxygen. In the range of test temperature, V increased with water temperature and diassolved oxygen content. The V of the above three prawn species increased 0.085 mg/g·h, 0. 093 mg/g·h and 0. 08 mg/g·h respectively with each ℃ of rising temperature. The comatose point and stifling point of the juveniles rose obviously at unsuitable temperature.
文摘For estimating the long-term stability of underground framework,it is vital to learn the mechanical and rheological characteristics of rock in multiple water saturation conditions.However,the majority of previous studies explored the rheological properties of rock in air-dried and water saturated conditions,as well as the water effects on compressive and tensile strengths.In this study,andesite was subjected to direct shear tests under five water saturation conditions,which were controlled by varying the wetting and drying time.The tests were conducted at alternating displacement rates under three vertical stresses.The results reveal that the shear strength decreases exponentially as water saturation increases,and that the increase in shear strength with a tenfold increase in displacement rate is nearly constant for each of the vertical stresses.Based on the findings of the shear tests in this study and the compression and tension tests in previous studies,the influences of both water saturation and loading rate on the Hoek-Brown failure criterion for the andesite was examined.These results indicate that the brittleness index of the andesite,which is defined as the ratio of uniaxial compressive strength to tensile strength,is independent of both water saturation and loading rate and that the influences of the water saturation dependence and the loading rate dependence of the failure criterion can be converted between each other.
基金The National Natural Science Foundation of China under contract Nos 41276011 and 41221063the Research Project of Chinese Ministry of Education under contract No.113041Athe Global Change and Air-Sea Interaction under contract under contract No.GASI-03-01-01-05
文摘The annual subduction rate in the South Indian Ocean was calculated by analyzing Simple Ocean Data Assimilation (SODA) outputs in the period of 1950-2008. The subduction rate census for potential density classes showed a peak corresponding to Indian Ocean subtropical mode water (IOSTMW) in the southwestern part of the South Indian Ocean subtropical gyre. The deeper mixed layer depth, the sharper mixed-layer fronts and the associated relatively faster circulation in the present climatology resulted in a larger lateral induction, which primarily dominants the IOSTMW subduction rate, while with only minor contribution from vertical pumping. Without loss of generality, through careful analysis of the water characteristics in the layer of minimum vertical temperature gradient (LMVTG), the authors suggest that the IOSTMW was identified as a thermostad, with a lateral minimum of low potential vorticity (PV, less than 200× 10^-12 m^-1·s^-1) and a low dT/dz (less than 1.5℃/(100 m)). The IOSTMW within the South Indian Ocean subtropical gyre distributed in the region approximately from 25° to 50° E and from 30° to 39°S. Additionally, the average characteristics (temperature, salinity, potential density) of the mode water were estimated about (16.38 ± 0.29)℃, (35.46 ±0.04), (26.02 ±0.04) ae over the past 60 years.
文摘Agriculture plays a vital role in the growth and development of the High Plains Region of the United States. With the development and adoption of irrigation technology, this region was transformed into one of the most agriculturally productive regions in the world [1]. The primary source of irrigation in this region is the Ogallala Aquifer. Currently, water from the aquifer is being used at a much faster rate than natural recharge can occur, resulting in a high rate of depletion from this finite resource. Depletion of scarce water resources will have a significant economic impact on the long-term sustainability of the region. The objective of this study is to evaluate the impact alternative prices and discount rates have on groundwater policy recommendations. Deterministic models of groundwater withdrawals were developed and used in order to analyze and evaluate the impact of high, average, and low crop prices in a status quo scenario as well as a policy scenario reducing irrigated acreage allocation. Furthermore, this study analyzes the effects and associated consequences of alternative discount rates on net and total revenue. As indicated by results of this study, alternative prices, costs, and discount rates utilized in a model have an effect on policy effectiveness.
基金Special Fund for Agro-scientific Research in the Public Interest Research and Demonstration of Development and Utilization Technology of Forage Feed Resources in Pastoral Areas(20120304201)
文摘The paper was to study the effects of seeding rate, water and fertilizer ( N, P, K) coupling on grass yield of forage millet Jigu No. 18 (Setaria itlica). A quadratic regression otthogonal rotation combination with five factors was designed in pot experiment. The mathematical model between hay yield of forage millet (Y) and soil moisture content ( x1 ), N fertilizer (x2 ), P fertilizer (x3 ), K fertilizer (x4) and seeding rate (x5 ) was established to simulate optimization. The results showed that moisture content, seeding rate, P fertilizer and K fertilizer had important effects on hay yield. Soil moisture content had the biggest impact on yield, followed by seeding rate, P and K fertilizer. The coupling effects of various factors successively were moisture content / seeding rate 〉 K fertil- izer/seeding rate 〉 N / P fertilizer 〉 soil moisture/N fertilizer 〉 soil moisture/ P fertilizer. Moreover, the mathematical model, Y = 20 543. 756 - 565. 570xI -39. 942x2 -23. 102x3 -38. 470x4 - 151. 877x5 + 1. 052x^x2 + 1. 604xIx3 + 12. 953xt x5 - 0. 173x2x3 + 0. 737x4x5 - 2. 292x5^2, was established. The optimum soil moisture and seeding rate were determined as 10% andl5 kg/hm2, respectively. In this scheme, the hay yield was 14 037. 151 0 kg/hm^2 and the economic benefit was 13 887.15 yuan/hm^2 ; the income was increased by 23.68% ( 3 288.98 yuan/hm^2 ) compared to the optimal combination in the test. The results provided a theoretical basis and technical support for forage millet production in Hebei Province.
基金Supported by Special Fund for Agro-scientific Research in the Public Interest(20120304201)
文摘To study the influence of sowing rate,water and fertilizer( N,P and K) coupling on water use efficiency of fodder millet grown in autumn fallow field,taking " Jigu 18" as the tested material,a orthogonal rotation combination with five factors was designed in pot experiment. Results showed that both water and phosphate fertilizer had important impacts on water use efficiency,in which water had the maximum impact,followed by phosphate fertilizer,and nitrogen fertilizer,potassium fertilizer and sowing rate all had no obvious impact. Significant item of sowing rate,water and fertilizer coupling had the below sequence: potassium fertilizer + sowing rate > nitrogen fertilizer + phosphate fertilizer > water + phosphate fertilizer > water + sowing rate > water + potassium fertilizer,and other items had no obvious impact. Mathematical model was established: y = 44. 26- 1. 311x1- 2. 298x2- 3. 682x3- 6. 401x4- 34. 540x5+ 0. 273x1x3+ 0. 118x1x4+ 0. 843x1x5- 1. 948x2x3+ 6. 631x4x5. The optimal scheme taking economic benefit as the examining index was cleared,that is,soil water content maintained 10%,and sowing rate of fodder millet was 15 kg / hm2. By the scheme,water use efficiency was 26. 24 g / kg,and hay yield was13980. 90 kg / hm2,with economic benefit of 13830. 90 yuan/hm2,which was 3063. 73 yuan/hm2 more than the optimized combination with the highest hay yield,with increase magnitude of 22. 15%,and was 6215. 15 yuan / hm2 more than the optimized combination with the highest water use efficiency,with increase magnitude of 44. 94%. The research could provide theoretic basis and technical support for production practice of fodder millet grown in autumn fallow field.
文摘This paper presents the predictability of aluminium-manganese alloy exposure time based on its as-cast weight and corrosion rate in sea water environment. The validity of the derived model: α = 26.67γ + 0.55β?- 0.29 is rooted on the core expression: 0.0375α = γ + 0.0206β?- 0.0109 where both sides of the expression are correspondingly approximately equal. Statistical analysis of model-predicted and experimentally evaluated exposure time for each value of as-cast weight and alloy corrosion rate considered shows a standard error of 0.0017% & 0.0044% and 0.0140% & 0.0150% respectively. The depths of corrosion penetration (at increasing corrosion rate: 0.0104 - 0.0157 mm/yr) as predicted by derived model and obtained from experiment are 0.7208 × 10-4 & 1.0123 × 10-4 mm and 2.5460 × 10-4 & 1.8240 × 10-4 mm (at decreasing corrosion rate: 0.0157 - 0.0062 mm/yr) respectively. Deviational analysis indicates that the maxi- mum deviation of the model-predicted alloy exposure time from the corresponding experimental value is less than 10%.
文摘The new theoretical models describe both the solubility S of the shot chain n-alkanes in water at 298.15 K, and their reaction rate constants k with nitronium cation NO<sub>2</sub><sup>+ </sup>at 293.15 K on the basis of their molecular orbital characteristics. It is shown that both the quantities S and k are determined by the energies E<sub>orb</sub> of the specific virtual (for S) and occupied (for k) molecular orbitals of these n-alkanes. The obtained regression equations confirm the theoretically found dependences of S and k on the absolute value of E<sub>orb</sub>. This fact demonstrates that the electronic structure particularities of the studied n-alkanes play a crucial role in both their above-mentioned physicochemical properties.