Water transport at the root/soil interface of 1 year old Pinus sylvestris Linn. var. sylvestriformis (Takenouchi) Cheng et C. D. Chu seedlings under CO 2 doubling was studied by measuring soil electric conductanc...Water transport at the root/soil interface of 1 year old Pinus sylvestris Linn. var. sylvestriformis (Takenouchi) Cheng et C. D. Chu seedlings under CO 2 doubling was studied by measuring soil electric conductance to survey soil water profiles and comparing it with root distribution surveyed by soil coring and root harvesting in Changbai Mountain in 1999. The results were: (1) The profiles of soil water content were adjusted by root activity. The water content of the soil layer with abundant roots was higher. (2) When CO 2 concentration was doubled, water transport was more active at the root/soil interface and the roots were distributed into deeper layer. It was shown in this work that the method of measuring electric conductance is an inexpensive, non_destructive and relatively sensitive way for underground water transport process.展开更多
To obtain carbon dioxide (CO2) flux between water-air interface of Taihu lake, monthly water samplers at 14 sites and the local meteorological data of the lake were collected and analyzed in 1998. Carbon dioxide par...To obtain carbon dioxide (CO2) flux between water-air interface of Taihu lake, monthly water samplers at 14 sites and the local meteorological data of the lake were collected and analyzed in 1998. Carbon dioxide partial pressures (pCO2) at air-water interface in the lake were calculated using alkalinity, pH, ionic strength, active coefficient, and water temperature. The carbon fluxes at different sublakes and areas were estimated by concentration gradient between water and air in consideration of Schmidt numbers of 600 and daily mean windspeed at 10 m above water surface. The results indicated that the mean values of pCO2 in Wuli Lake,Meiliang Bay, hydrophyte area, west littoral zone, riverine mouths, and the open lake areas were 1 807.8±1 071.4(mean±standard deviation)μatm (latm=1.013 25×10^5pa), 416.3±217.0μatm, 576.5±758.8μatm, 304.2±9.43.5μatm, 1 933.6±1 144.7 μatm, and 448.5±202.6μatm, respectively. Maximum and minimum pCO2 values were found in the hypertrophic (4 053.7μatm) and the eutrophic (3.2 μatm) areas. The riverine mouth areas have the maximum fluxes (82.0±62.8 mmol/m^2a). But there was no significant difference between eutrophic and mesotrophic areas in pCO2 and the flux of CO2. The hydrophyte area, however, has the minimum (--0.58±12.9mmol/m^2a). In respect to CO2 equilibrium, input of the rivers will obviously influence inorganic carbon distribution in the riverine estuary. For example, the annual mean CO2 flux in Zhihugang River estuary was 19 times of that in Meiliang Bay, although the former is only a part of the latter. The sites in the body of the lake show a clear seasonal cycle with pCO2 higher than atmospheric equilibrium in winter, and much lower than atmospheric in summer due to CO2 consumption by photosynthesis. The CO2 amount of the net annual evasion that enters the atmosphere is 28.42×10^4 t/a, of which those from the west littoral zone and the open lake account for 53.8% and 36.7%, respectively.展开更多
Here we report a quantitative study of the orientational structure and motion of water molecule at the air/water interface. Analysis of Sum Frequency Generation (SFG) vibrational peak of the free O-H stretching band...Here we report a quantitative study of the orientational structure and motion of water molecule at the air/water interface. Analysis of Sum Frequency Generation (SFG) vibrational peak of the free O-H stretching band at 3700 cm^-1 in four experimental configurations showed that orientational motion of water molecule at air/water interface is libratory within a limited angular range. The free OH bond of the interracial water molecule is tilted around 33°from the interface normal and the orientational distribution or motion width is less than 15°. This picture is significantly different from the previous conclusion that the interracial water molecule orientation varies over a broad range within the ultrafast vibrational relaxation time, the only direct experimental study concluded for ultrafast and broad orient, ational motion of a liquid interface by Wei et al. (Phys. Rev. Lett. 86, 4799, (2001)) using single SFG experimental configuration.展开更多
The vacuum residual from Iranian Light crude oil are separated into a series of 16 narrow fractions according to the molecular weight by the supercritical fluid extraction and fractional (SFEF) technology. The chemica...The vacuum residual from Iranian Light crude oil are separated into a series of 16 narrow fractions according to the molecular weight by the supercritical fluid extraction and fractional (SFEF) technology. The chemical element and the UV spectrum of each fraction are analyzed. The effects of several factors on the interfacial tension are investigated, which are the fraction concentration in oil phase, the ratio of oil component, the salts dissolved in the water phase and the pH value. The interfacial tension decreases rapidly as the concentration of the residual fraction in the oil increases, showing a higher interfacial activity of the fraction. The interfacial tension changes, as the amount of absorption or the state of the fractions in the interface changes resulting from different ratios of oil, different kinds or concentrations of salts in water, and different pH values. It is concluded that the interfacial tension changes regularly, corresponding to the regular molecular parameters of the vacuum residual fractions.展开更多
Following the assumptions proposed by MESRI and ROKHSAR,the one-dimensional nonlinear consolidation problem of soil under constant loading is studied by introducing continuous drainage boundary.The numerical solution ...Following the assumptions proposed by MESRI and ROKHSAR,the one-dimensional nonlinear consolidation problem of soil under constant loading is studied by introducing continuous drainage boundary.The numerical solution is derived by using finite difference method and its correctness is assessed by comparing with existing analytical and numerical solutions.Based on the present solution,the effects of interface parameters,stress ratios(i.e.,final effective stress over initial effective stress,N_(σ))and the ratio c_(c)/c_(k)of compression index to permeability index on the consolidation behavior of soil are studied in detail.The results show that,the characteristics of one-dimensional nonlinear consolidation of soil are not only related to c_(c)/c_(k)and N_(σ),but also related to boundary conditions.In the engineering practice,the soil drainage rate of consolidation process can be designed by adjusting the values of interface parameters.展开更多
A novel simple two-dimensional square-lattice model of amphiphile at oil-water interface is developed,in which oil and water act as solvent and occupy empty sites and amphiphile occupies chains of sites. In this mode...A novel simple two-dimensional square-lattice model of amphiphile at oil-water interface is developed,in which oil and water act as solvent and occupy empty sites and amphiphile occupies chains of sites. In this model, the oil-water interface is fixed, And amphiphile molecules will be enriched at the oil-water interface. The interfacial concentration of amphiphile calculated by Monte Carlo method shows that it is easier for the hydrophilic-hydrophobic balanced amphiphile to stay at the interface. And the adsorption of amphiphile increases with the increase of amphiphile concentration and the decrease with temperature.展开更多
An interfacial equation of state based on perturbation theory for surfactant-oil-water system has been developed. By combining the interfacial equation of state with Boudh-Hir and Mansoori's model, a molecular the...An interfacial equation of state based on perturbation theory for surfactant-oil-water system has been developed. By combining the interfacial equation of state with Boudh-Hir and Mansoori's model, a molecular ther-modynamic model has been proposed. The interfacial tension of surfactant-oil-water systems can be calculated from the surface tensions of pure oil and water by this model. The interfacial tension data for sodium dodecyl sulphate-heptane-water system, polyoxyethylene n-octylphenol-heptane-water system and hexadecyl trimethyl ammonium bromide-heptane-water system have been correlated. By using the adjustable parameters obtained, the interfacial tensions of these systems at other temperatures have been predicted. Both the correlated and the predicted values are satisfactory.展开更多
The watermiscible room temperature ionic liquid 1butyl3methylimidazolium tetrafluorob orate ([bmim] [BF4]) is a model system for studying the interactions between ionic liquid and water molecules. In this work the o...The watermiscible room temperature ionic liquid 1butyl3methylimidazolium tetrafluorob orate ([bmim] [BF4]) is a model system for studying the interactions between ionic liquid and water molecules. In this work the orientational structure of the low concentrated aqueous solution of [bmim] [BF4] at the air/liquid interface was investigated by sum frequency gener ation vibrational spectroscopy. It has been found that at very low concentrations, the butyl chain exhibited a significant gauche defect, indicating a disordered conformation; and the cation ring oriented with a fairly small tilting angle at the surface. When the concentration increased, the cation ring tended to lie flat at the surface, and the gauche defects of the butyl chain decreased due to the intermolecular chainchain interactions and the consequent more ordered interfacial molecular arrangement. Additionally, the antisymmetric stretching mode in the PPP and SPS spectra exhibited a peak shift, showing that there exists more than one kind of orientation or chemical environment for the butyl CH3 group. These results may shed new light on understanding the surface behavior of watermiscible ionic liquids as well as the imidazolium based surfactants.展开更多
The constructive or destructive spectral interference between the molecular groups oriented up and down at the interface in the sum-frequency generation (SFG) spectra provides a direct measurement of the absolute or...The constructive or destructive spectral interference between the molecular groups oriented up and down at the interface in the sum-frequency generation (SFG) spectra provides a direct measurement of the absolute orientation of these molecular groups. This simple approach can be employed to interrogate absolute molecular orientations other than using the complex absolute phase measurement in the SFG studies. We used the -CN group in the p-cyanophenol (PCP) molecule as the internal phase standard, and we measured the phases of the SFG fields of the -CN groups in the 3,5-dimethyl-4-hydroxy-benzonitrile (35DMHBN) and 2,6-dimethyl-4-hydroxy-benzonitrile (26DMHBN) at the air/water interface by measuring the SFG spectra of the aqueous surfaces of the mixtures of the PCP, 35DMHBN, and 26DMHBN solutions. The results showed that the 35DMHBN had its -CN group pointing into the aqueous phase; while the 26DMHBN, similar to the PCP, had its -CN group pointing away from the aqueous phase. The tilt angles of the -CN group for both the 35DMHBN and 26DMHBN molecules at the air/water interface were around 25°-45° from the interface normal. These results provided insights on the understanding of the detailed balance of the competing factors, such as solvation of the polar head groups, hydrogen bonding and hydrophobic effects, etc., on influencing the absolute molecular orientation at the air/water interface.展开更多
The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic inter...The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic interaction mechanisms between the commonly used aggregate phase calcite/silica and calcium silicate hydrates(C-S-H),as well as the effect of moisture.The results suggest that the C-S-H/calcite interface is relatively strong and stable under both dry and moist conditions,which is caused by the high-strength interfacial connections formed between calcium ions from calcite and high-polarity non-bridging oxygen atoms from the C-S-H surface.Silica can be also adsorbed on the dry C-S-H surface by the H-bonds;however,the presence of water molecules on the interface may substantially decrease the affinities.Furthermore,the dynamics interface separation tests of C-S-H/aggregates were also implemented by molecular dynamics.The shape of the calculated stress-separation distance curves obeys the quasi-static cohesive law obtained experimentally.The moisture conditions and strain rates were found to affect the separation process of C-S-H/silica.A wetter interface and smaller loading rate may lead to a lower adhesion strength.The mechanisms interpreted here may shed new lights on the understandings of hcp/aggregate interactions at a nano-length scale and creation of high performance cementitious materials.展开更多
文摘Water transport at the root/soil interface of 1 year old Pinus sylvestris Linn. var. sylvestriformis (Takenouchi) Cheng et C. D. Chu seedlings under CO 2 doubling was studied by measuring soil electric conductance to survey soil water profiles and comparing it with root distribution surveyed by soil coring and root harvesting in Changbai Mountain in 1999. The results were: (1) The profiles of soil water content were adjusted by root activity. The water content of the soil layer with abundant roots was higher. (2) When CO 2 concentration was doubled, water transport was more active at the root/soil interface and the roots were distributed into deeper layer. It was shown in this work that the method of measuring electric conductance is an inexpensive, non_destructive and relatively sensitive way for underground water transport process.
基金This research was supported by the Knowledge Innovation Project of Chinese Academy of Sciences (KZCX1-SW-01-15) and (KZCX1- SW-12)
文摘To obtain carbon dioxide (CO2) flux between water-air interface of Taihu lake, monthly water samplers at 14 sites and the local meteorological data of the lake were collected and analyzed in 1998. Carbon dioxide partial pressures (pCO2) at air-water interface in the lake were calculated using alkalinity, pH, ionic strength, active coefficient, and water temperature. The carbon fluxes at different sublakes and areas were estimated by concentration gradient between water and air in consideration of Schmidt numbers of 600 and daily mean windspeed at 10 m above water surface. The results indicated that the mean values of pCO2 in Wuli Lake,Meiliang Bay, hydrophyte area, west littoral zone, riverine mouths, and the open lake areas were 1 807.8±1 071.4(mean±standard deviation)μatm (latm=1.013 25×10^5pa), 416.3±217.0μatm, 576.5±758.8μatm, 304.2±9.43.5μatm, 1 933.6±1 144.7 μatm, and 448.5±202.6μatm, respectively. Maximum and minimum pCO2 values were found in the hypertrophic (4 053.7μatm) and the eutrophic (3.2 μatm) areas. The riverine mouth areas have the maximum fluxes (82.0±62.8 mmol/m^2a). But there was no significant difference between eutrophic and mesotrophic areas in pCO2 and the flux of CO2. The hydrophyte area, however, has the minimum (--0.58±12.9mmol/m^2a). In respect to CO2 equilibrium, input of the rivers will obviously influence inorganic carbon distribution in the riverine estuary. For example, the annual mean CO2 flux in Zhihugang River estuary was 19 times of that in Meiliang Bay, although the former is only a part of the latter. The sites in the body of the lake show a clear seasonal cycle with pCO2 higher than atmospheric equilibrium in winter, and much lower than atmospheric in summer due to CO2 consumption by photosynthesis. The CO2 amount of the net annual evasion that enters the atmosphere is 28.42×10^4 t/a, of which those from the west littoral zone and the open lake account for 53.8% and 36.7%, respectively.
基金This work was supported by Chines Academy of Scieuces(No.CMS-cx200305),National Natural Science Foundation of China(NSFC No.20425309,No.20573117)and Chinese Ministry of Science and Technology (M0ST No.G1999075305).
文摘Here we report a quantitative study of the orientational structure and motion of water molecule at the air/water interface. Analysis of Sum Frequency Generation (SFG) vibrational peak of the free O-H stretching band at 3700 cm^-1 in four experimental configurations showed that orientational motion of water molecule at air/water interface is libratory within a limited angular range. The free OH bond of the interracial water molecule is tilted around 33°from the interface normal and the orientational distribution or motion width is less than 15°. This picture is significantly different from the previous conclusion that the interracial water molecule orientation varies over a broad range within the ultrafast vibrational relaxation time, the only direct experimental study concluded for ultrafast and broad orient, ational motion of a liquid interface by Wei et al. (Phys. Rev. Lett. 86, 4799, (2001)) using single SFG experimental configuration.
基金Supported by the National Key Basic Research Programme (No.973-G1999022505),University of Petroleum Basic Research Fund(No.ZX9904)
文摘The vacuum residual from Iranian Light crude oil are separated into a series of 16 narrow fractions according to the molecular weight by the supercritical fluid extraction and fractional (SFEF) technology. The chemical element and the UV spectrum of each fraction are analyzed. The effects of several factors on the interfacial tension are investigated, which are the fraction concentration in oil phase, the ratio of oil component, the salts dissolved in the water phase and the pH value. The interfacial tension decreases rapidly as the concentration of the residual fraction in the oil increases, showing a higher interfacial activity of the fraction. The interfacial tension changes, as the amount of absorption or the state of the fractions in the interface changes resulting from different ratios of oil, different kinds or concentrations of salts in water, and different pH values. It is concluded that the interfacial tension changes regularly, corresponding to the regular molecular parameters of the vacuum residual fractions.
基金Projects(51678547,41672296,51878634,51878185,41867034)supported by the National Natural Science Foundation of China。
文摘Following the assumptions proposed by MESRI and ROKHSAR,the one-dimensional nonlinear consolidation problem of soil under constant loading is studied by introducing continuous drainage boundary.The numerical solution is derived by using finite difference method and its correctness is assessed by comparing with existing analytical and numerical solutions.Based on the present solution,the effects of interface parameters,stress ratios(i.e.,final effective stress over initial effective stress,N_(σ))and the ratio c_(c)/c_(k)of compression index to permeability index on the consolidation behavior of soil are studied in detail.The results show that,the characteristics of one-dimensional nonlinear consolidation of soil are not only related to c_(c)/c_(k)and N_(σ),but also related to boundary conditions.In the engineering practice,the soil drainage rate of consolidation process can be designed by adjusting the values of interface parameters.
基金Supported by the National Natural Science Foundation of China (No. 29736170)and the Natural Science Foundation of Zhejiang Province(No. RC01051).
文摘A novel simple two-dimensional square-lattice model of amphiphile at oil-water interface is developed,in which oil and water act as solvent and occupy empty sites and amphiphile occupies chains of sites. In this model, the oil-water interface is fixed, And amphiphile molecules will be enriched at the oil-water interface. The interfacial concentration of amphiphile calculated by Monte Carlo method shows that it is easier for the hydrophilic-hydrophobic balanced amphiphile to stay at the interface. And the adsorption of amphiphile increases with the increase of amphiphile concentration and the decrease with temperature.
基金Supported by the National Nature Science Foundation of China(No.29736170)
文摘An interfacial equation of state based on perturbation theory for surfactant-oil-water system has been developed. By combining the interfacial equation of state with Boudh-Hir and Mansoori's model, a molecular ther-modynamic model has been proposed. The interfacial tension of surfactant-oil-water systems can be calculated from the surface tensions of pure oil and water by this model. The interfacial tension data for sodium dodecyl sulphate-heptane-water system, polyoxyethylene n-octylphenol-heptane-water system and hexadecyl trimethyl ammonium bromide-heptane-water system have been correlated. By using the adjustable parameters obtained, the interfacial tensions of these systems at other temperatures have been predicted. Both the correlated and the predicted values are satisfactory.
文摘The watermiscible room temperature ionic liquid 1butyl3methylimidazolium tetrafluorob orate ([bmim] [BF4]) is a model system for studying the interactions between ionic liquid and water molecules. In this work the orientational structure of the low concentrated aqueous solution of [bmim] [BF4] at the air/liquid interface was investigated by sum frequency gener ation vibrational spectroscopy. It has been found that at very low concentrations, the butyl chain exhibited a significant gauche defect, indicating a disordered conformation; and the cation ring oriented with a fairly small tilting angle at the surface. When the concentration increased, the cation ring tended to lie flat at the surface, and the gauche defects of the butyl chain decreased due to the intermolecular chainchain interactions and the consequent more ordered interfacial molecular arrangement. Additionally, the antisymmetric stretching mode in the PPP and SPS spectra exhibited a peak shift, showing that there exists more than one kind of orientation or chemical environment for the butyl CH3 group. These results may shed new light on understanding the surface behavior of watermiscible ionic liquids as well as the imidazolium based surfactants.
基金Ⅵ. ACKNOWLEDGMENTS Hong-fei Wang thanks the support by the National Natural Science Foundation of China (No.20373076, No.20425309, and No.20533070) and the Ministry of Science and Technology of China (No.2007CB815205). Zhi-feng Cui thanks the support by the Natural Science Foundation of China (No.10674002) and the Natural Science Foundation of Anhui Province (No.ZD2007001-1).
文摘The constructive or destructive spectral interference between the molecular groups oriented up and down at the interface in the sum-frequency generation (SFG) spectra provides a direct measurement of the absolute orientation of these molecular groups. This simple approach can be employed to interrogate absolute molecular orientations other than using the complex absolute phase measurement in the SFG studies. We used the -CN group in the p-cyanophenol (PCP) molecule as the internal phase standard, and we measured the phases of the SFG fields of the -CN groups in the 3,5-dimethyl-4-hydroxy-benzonitrile (35DMHBN) and 2,6-dimethyl-4-hydroxy-benzonitrile (26DMHBN) at the air/water interface by measuring the SFG spectra of the aqueous surfaces of the mixtures of the PCP, 35DMHBN, and 26DMHBN solutions. The results showed that the 35DMHBN had its -CN group pointing into the aqueous phase; while the 26DMHBN, similar to the PCP, had its -CN group pointing away from the aqueous phase. The tilt angles of the -CN group for both the 35DMHBN and 26DMHBN molecules at the air/water interface were around 25°-45° from the interface normal. These results provided insights on the understanding of the detailed balance of the competing factors, such as solvation of the polar head groups, hydrogen bonding and hydrophobic effects, etc., on influencing the absolute molecular orientation at the air/water interface.
基金Projects(6512009004A,51908119,U1706222)supported by the National Natural Science Foundation of ChinaProject(BK20190367)supported by the Natural Science Foundation of Jiangsu Province,China。
文摘The interface properties between hydrated cement paste(hcp)and aggregates largely determine the various performances of concrete.In this work,molecular dynamics simulations were employed to explore the atomistic interaction mechanisms between the commonly used aggregate phase calcite/silica and calcium silicate hydrates(C-S-H),as well as the effect of moisture.The results suggest that the C-S-H/calcite interface is relatively strong and stable under both dry and moist conditions,which is caused by the high-strength interfacial connections formed between calcium ions from calcite and high-polarity non-bridging oxygen atoms from the C-S-H surface.Silica can be also adsorbed on the dry C-S-H surface by the H-bonds;however,the presence of water molecules on the interface may substantially decrease the affinities.Furthermore,the dynamics interface separation tests of C-S-H/aggregates were also implemented by molecular dynamics.The shape of the calculated stress-separation distance curves obeys the quasi-static cohesive law obtained experimentally.The moisture conditions and strain rates were found to affect the separation process of C-S-H/silica.A wetter interface and smaller loading rate may lead to a lower adhesion strength.The mechanisms interpreted here may shed new lights on the understandings of hcp/aggregate interactions at a nano-length scale and creation of high performance cementitious materials.