土壤水汽吸附曲线的模拟及其滞后效应
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摘要
准确模拟土壤水汽吸附曲线对于研究土壤与水分子之间的相互作用机理及预测土壤中挥发性有机气体的运移有重要意义。选择了中国不同地区七种典型土壤,评价了GuggenheimAnderson-deBoer(GAB)模型对水汽吸附和解吸曲线的模拟效果,并就水汽吸附行为的影响因素、水分子与土壤颗粒的相互作用机制进行了讨论。结果表明,对于七种供试土壤的水汽吸附和解吸曲线,GAB模型均方根误差小于0.000 7,决定系数大于0.995。相比土壤水汽解吸附过程,水汽吸附过程土壤的单层吸附水含量较低,而纯液态和单层吸附的水分子自由焓差较高。水汽吸附与解吸附过程中土壤单层水含量和滞后指数与有机碳含量呈极显著的正相关关系,而与黏粒含量的相关性受矿物类型的影响。
【Objective】The isotherm of soil water vapor adsorption is one of the basic hydraulic characteristics of soil. Simulating the isotherm accurately is of great significance to studying mechanism of the interaction between soil and water molecules and predicting migration of volatile organic gases in soil.【Method】In this study, seven typical soils of different regions of China were collected for determination of water vapor sorption isotherms with vapor sorption analyzer, separately, in lab. During the process, the water activity of the sample was controlled with the range of 0.1～0.9, and temperature was at 25 °C. Then the GAB(Guggenheim-Anderson-de Boer) model was used to evaluate effect of the simulation of water vapor sorption isotherms, and its performance was evaluated by root mean square error and determination coefficient. Factors influencing factors of water vapor adsorption behavior and mechanism of the interaction between water molecules and soil particles were discussed. 【Results】For simulation of water vapor adsorption and desorption curves of the seven types of soils investigated, the root mean square error of the GAB model was lower than 0.000 7, while the determination coefficient was higher than 0.995. Compared with the soil water vapor desorption process, the monolayer water adsorption during the water vapor adsorption process was quite lower, but the molecules free enthalpy of pure liquid water and single-layer adsorbed water was rather high. Monolayer water content during the adsorption and desorption processes and hysteresis index were ultra-significantly and positively related to the organic carbon content. Monolayer water content was higher during the desorption process(M0 = 0.002 8～0.031 4) than during the adsorption process(M0 = 0.001 2～0.023 0) in the seven types of soils. The relation of monolayer water content with clay content was affected by type of soil mineral. And no significant relationships were observed between soil physico-chemical properties(such as organic carbon content, clay content and so on) and other GAB model parameters(for instance, C, K) during the adsorption and desorption process. 【Conclusion】The GAB model is proved to be able to accurately describe water vapor adsorption and desorption processes in the investigated soils. Soil water vapor sorption capacity is highly affected by soil organic carbon content,clay content and type of soil mineral. Hysteresis occurred in all the investigated soils, and varies with soil physico-chemical properties.
【Objective】The isotherm of soil water vapor adsorption is one of the basic hydraulic characteristics of soil. Simulating the isotherm accurately is of great significance to studying mechanism of the interaction between soil and water molecules and predicting migration of volatile organic gases in soil.【Method】In this study, seven typical soils of different regions of China were collected for determination of water vapor sorption isotherms with vapor sorption analyzer, separately, in lab. During the process, the water activity of the sample was controlled with the range of 0.1～0.9, and temperature was at 25 °C. Then the GAB(Guggenheim-Anderson-de Boer) model was used to evaluate effect of the simulation of water vapor sorption isotherms, and its performance was evaluated by root mean square error and determination coefficient. Factors influencing factors of water vapor adsorption behavior and mechanism of the interaction between water molecules and soil particles were discussed. 【Results】For simulation of water vapor adsorption and desorption curves of the seven types of soils investigated, the root mean square error of the GAB model was lower than 0.000 7, while the determination coefficient was higher than 0.995. Compared with the soil water vapor desorption process, the monolayer water adsorption during the water vapor adsorption process was quite lower, but the molecules free enthalpy of pure liquid water and single-layer adsorbed water was rather high. Monolayer water content during the adsorption and desorption processes and hysteresis index were ultra-significantly and positively related to the organic carbon content. Monolayer water content was higher during the desorption process(M0 = 0.002 8～0.031 4) than during the adsorption process(M0 = 0.001 2～0.023 0) in the seven types of soils. The relation of monolayer water content with clay content was affected by type of soil mineral. And no significant relationships were observed between soil physico-chemical properties(such as organic carbon content, clay content and so on) and other GAB model parameters(for instance, C, K) during the adsorption and desorption process. 【Conclusion】The GAB model is proved to be able to accurately describe water vapor adsorption and desorption processes in the investigated soils. Soil water vapor sorption capacity is highly affected by soil organic carbon content,clay content and type of soil mineral. Hysteresis occurred in all the investigated soils, and varies with soil physico-chemical properties.
引文
[1]Akin I D.Clay surface properties by water vapor sorption methods.Madison,WI:Department.of Civil and Environmental Engineering,University of Wisconsin-Madison,2014
[2]Amali S,Petersen L W,Rolston D E.Modeling multicomponent volatile organic and water vapor adsorption on soils.Journal of Hazardous Materials,1994,36(1):89-108
[3]Petersen L W.Volatile organic vapor diffusion and adsorption in soils.Journal of Environmental Quality,1994,23(4):799-805
[4] Zhang Z,Thiery M,Baroghel-Bouny V.A review and statistical study of existing hysteresis models for cementitious materials.Cement&Concrete Research,2014,57(3):44-60
[5] Resurreccion A C,Moldrup P,Tuller M,et al.Relationship between specific surface area and the dryend of the water retention curve for soils with varying clay and organic carbon contents.Water Resources Research,2011,47(6):240-250
[6]Goneli A L D,Correa P C,Oliveira G H H D,et al.Water sorption isotherms and thermodynamic properties of pearl millet grain.International Journal of Food Science&Technology,2010,45(4):828-838
[7]Zhang X,Zillig W,Kunzel H M,et al.Evaluation of moisture sorption models and modified Mualem model for prediction of desorption isotherm for wood materials.Building&Environment,2015,92:387-395
[8]Akin I D,Likos W J.Evaluation of isotherm models for water vapor sorption behavior of expansive clays.Journal of Performance of Constructed Facilities,2016,31(1):D4016001
[9]Dutcher C S,Ge X,Wexler A S,et al.Statistical mechanics of multilayer sorption:extension of the Brunauer-Emmett-Teller(BET)and GuggenheimAnderson-de Boer(GAB)adsorption isotherms.Journal of Physical Chemistry Letters,2011,115(33):16474-16487
[10]Mcmillan W G,Teller E.The role of surface tension in multilayer gas adsorption.Journal of Chemical Physics,1951,19(1):25-32
[11]Newman A C D.The interaction of water with clay mineral surfaces//Newman A C D.Chemistry of clays and clay minerals.New York:John Wiley&Sons,1987:237-274
[12]Ponec V,Knor Z,Cerny S,et al.Adsorption on solids.London:Butterworths,1974
[13]Anderson R B.Modifications of the Brunauer,Emmett and Teller equation.Journal of the American Chemical Society,1946,68(4):686-691
[14]Oh S,Lee E J,Hong G P.Quality characteristics and moisture sorption isotherm of three varieties of dried sweet potato manufactured by hot air semi-drying followed by hot-pressing.LWT-Food Science and Technology,2018,94:73—78
[15]Pagano A M,Mascheroni R H.Sorption isotherms for amaranth grains.Journal of Food Engineering,2005,67(4):441-450
[16]Arthur E,Tuller M,Moldrup P,et al.Evaluation of theoretical and empirical water vapor sorption isotherm models for soils.Water Resources Research,2016,52(4):1089-1094
[17]Arthur E,Tuller M,Moldrup P,et al.Applicabilityof the Guggenheim-Anderson-Boer water vapour sorption model for estimation of soil specific surface area.European Journal of Soil Science,2017,69(2):245-255
[18]Lu Y,Pignatello J J.Demonstration of the"conditioning effect"in soil organic matter in support of a pore deformation mechanism for sorption hysteresis.Environmental Science&Technology,2002,36(21):4553-4561
[19]Arthur E,Tuller M,Moldrup P,et al.Prediction of clay content from water vapour sorption isotherms considering hysteresis and soil organic matter content.European Journal of Soil Science,2015,66(1):206-217
[20]Arthur E,Tuller M,Moldrup P,et al.Rapid and fully automated measurement of water vapor sorption isotherms:New opportunities for vadose zone research.Vadose Zone Journal,2014,13(1):1—7
[21]Gee G W,Or D.Particle-size analysis//Dame J H,Topp G C.Mehtods of soil analysis.USA,Soil Science Society of America,Madison,WI,2002:255-293
[22]Nelson D W,Sommers L E.Total carbon,organic carbon and organic matter//Page A L,Miller R H,Keeney D R.Methods of Soil Analysis.Part2.2nd Ed,Madison,USA:American Society of Agronomy,1982:539-579
[23]van den Berg C,Bruin S.Water activity its estimation in food systems:Theoretical aspects//Rockland L B,Stewart G F.Water activity:Influences on food quality.New York:Academic Press.1981:1—61
[24]Quirk J P,Murray R S.Appraisal of the ethylene glycol monoethyl ether method for measuring hydratable surface area of clays and soils.Soil Science Society of America Journal,1999,63(4):839—849
[25]Fletcher A J,Yaprak Uygur A,Thomas K M.Role of surface functional groups in the adsorption kinetics of water vapor on microporous activated carbons.Journal of Physical Chemistry C,2007,111(23):8349—8359
[26]Khorshidi M,Lu N.Determination of cation exchangecapacity from soil water retention curve.Journal of Engineering Mechanics,2017,143(6):04017023
[27]Chen C,Ren T,Hu K,et al.Estimation of soil clay content using hygroscopic water content at an arbitrary humidity.Soil Science Society of America Journal,2014,78(1):119-124
[28] Sabard M.,Gouanve F,Espuche E,et al.Influence of film processing conditions on the morphology of polyamide 6:Consequences on water and ethanol sorption properties.Journal of Membrane Science,2012,415/416(10):670-680
[29] Feng D,Li X,Wang X,et al.Water adsorption and its impact on the pore structure characteristics of shale clay.Applied Clay Science,2018,155:126—138
[30]Almuhtaseb A H,Warn M M,Tra M. Water sorption isotherms of starch powders.1.Mathematical description of experimental data.Journal of Food Engineering,2004,61(3):297—307
[31]van Den Berg C.Description of water activity of foods for engineering purposes by means of the GAB model of sorption//Mckenna B M.Engineering and foods.New York:Elsevier,1984:311—321
[32]Watt I C.Adsorption-desorption hysteresis in polymers.Journal of Macromolecular Science:Part A-Chemistry,1980,14(2):245—255
[33]Ding G,Rice J A.Effect of lipids on sorption/desorption hysteresis in natural organic matter.Chemosphere,2011,84(4):519—526
[34]Weber J W,Huang W,Yu H.Hysteresis in the sorption and desorption of hydrophobic organic contaminants by soils and sediments:2.Effects of soil organic matter heterogeneity.Journal of Contaminant Hydrology,1998,31(1/2):149-165
[35]Globus A M,Neusypina T A.Determination of the water hysteresis and specific surface of soils by electronic microhygrometry and psychrometry.Eurasian Soil Science,2006,39(3):270—277
[36] Lu N,Khorshidi M.Mechanisms for soil-water retention and hysteresis at high suction range.Journal of Geotechnical&Geoenvironmental Engineering,2015, 141(8):04015032
[2]Amali S,Petersen L W,Rolston D E.Modeling multicomponent volatile organic and water vapor adsorption on soils.Journal of Hazardous Materials,1994,36(1):89-108
[3]Petersen L W.Volatile organic vapor diffusion and adsorption in soils.Journal of Environmental Quality,1994,23(4):799-805
[4] Zhang Z,Thiery M,Baroghel-Bouny V.A review and statistical study of existing hysteresis models for cementitious materials.Cement&Concrete Research,2014,57(3):44-60
[5] Resurreccion A C,Moldrup P,Tuller M,et al.Relationship between specific surface area and the dryend of the water retention curve for soils with varying clay and organic carbon contents.Water Resources Research,2011,47(6):240-250
[6]Goneli A L D,Correa P C,Oliveira G H H D,et al.Water sorption isotherms and thermodynamic properties of pearl millet grain.International Journal of Food Science&Technology,2010,45(4):828-838
[7]Zhang X,Zillig W,Kunzel H M,et al.Evaluation of moisture sorption models and modified Mualem model for prediction of desorption isotherm for wood materials.Building&Environment,2015,92:387-395
[8]Akin I D,Likos W J.Evaluation of isotherm models for water vapor sorption behavior of expansive clays.Journal of Performance of Constructed Facilities,2016,31(1):D4016001
[9]Dutcher C S,Ge X,Wexler A S,et al.Statistical mechanics of multilayer sorption:extension of the Brunauer-Emmett-Teller(BET)and GuggenheimAnderson-de Boer(GAB)adsorption isotherms.Journal of Physical Chemistry Letters,2011,115(33):16474-16487
[10]Mcmillan W G,Teller E.The role of surface tension in multilayer gas adsorption.Journal of Chemical Physics,1951,19(1):25-32
[11]Newman A C D.The interaction of water with clay mineral surfaces//Newman A C D.Chemistry of clays and clay minerals.New York:John Wiley&Sons,1987:237-274
[12]Ponec V,Knor Z,Cerny S,et al.Adsorption on solids.London:Butterworths,1974
[13]Anderson R B.Modifications of the Brunauer,Emmett and Teller equation.Journal of the American Chemical Society,1946,68(4):686-691
[14]Oh S,Lee E J,Hong G P.Quality characteristics and moisture sorption isotherm of three varieties of dried sweet potato manufactured by hot air semi-drying followed by hot-pressing.LWT-Food Science and Technology,2018,94:73—78
[15]Pagano A M,Mascheroni R H.Sorption isotherms for amaranth grains.Journal of Food Engineering,2005,67(4):441-450
[16]Arthur E,Tuller M,Moldrup P,et al.Evaluation of theoretical and empirical water vapor sorption isotherm models for soils.Water Resources Research,2016,52(4):1089-1094
[17]Arthur E,Tuller M,Moldrup P,et al.Applicabilityof the Guggenheim-Anderson-Boer water vapour sorption model for estimation of soil specific surface area.European Journal of Soil Science,2017,69(2):245-255
[18]Lu Y,Pignatello J J.Demonstration of the"conditioning effect"in soil organic matter in support of a pore deformation mechanism for sorption hysteresis.Environmental Science&Technology,2002,36(21):4553-4561
[19]Arthur E,Tuller M,Moldrup P,et al.Prediction of clay content from water vapour sorption isotherms considering hysteresis and soil organic matter content.European Journal of Soil Science,2015,66(1):206-217
[20]Arthur E,Tuller M,Moldrup P,et al.Rapid and fully automated measurement of water vapor sorption isotherms:New opportunities for vadose zone research.Vadose Zone Journal,2014,13(1):1—7
[21]Gee G W,Or D.Particle-size analysis//Dame J H,Topp G C.Mehtods of soil analysis.USA,Soil Science Society of America,Madison,WI,2002:255-293
[22]Nelson D W,Sommers L E.Total carbon,organic carbon and organic matter//Page A L,Miller R H,Keeney D R.Methods of Soil Analysis.Part2.2nd Ed,Madison,USA:American Society of Agronomy,1982:539-579
[23]van den Berg C,Bruin S.Water activity its estimation in food systems:Theoretical aspects//Rockland L B,Stewart G F.Water activity:Influences on food quality.New York:Academic Press.1981:1—61
[24]Quirk J P,Murray R S.Appraisal of the ethylene glycol monoethyl ether method for measuring hydratable surface area of clays and soils.Soil Science Society of America Journal,1999,63(4):839—849
[25]Fletcher A J,Yaprak Uygur A,Thomas K M.Role of surface functional groups in the adsorption kinetics of water vapor on microporous activated carbons.Journal of Physical Chemistry C,2007,111(23):8349—8359
[26]Khorshidi M,Lu N.Determination of cation exchangecapacity from soil water retention curve.Journal of Engineering Mechanics,2017,143(6):04017023
[27]Chen C,Ren T,Hu K,et al.Estimation of soil clay content using hygroscopic water content at an arbitrary humidity.Soil Science Society of America Journal,2014,78(1):119-124
[28] Sabard M.,Gouanve F,Espuche E,et al.Influence of film processing conditions on the morphology of polyamide 6:Consequences on water and ethanol sorption properties.Journal of Membrane Science,2012,415/416(10):670-680
[29] Feng D,Li X,Wang X,et al.Water adsorption and its impact on the pore structure characteristics of shale clay.Applied Clay Science,2018,155:126—138
[30]Almuhtaseb A H,Warn M M,Tra M. Water sorption isotherms of starch powders.1.Mathematical description of experimental data.Journal of Food Engineering,2004,61(3):297—307
[31]van Den Berg C.Description of water activity of foods for engineering purposes by means of the GAB model of sorption//Mckenna B M.Engineering and foods.New York:Elsevier,1984:311—321
[32]Watt I C.Adsorption-desorption hysteresis in polymers.Journal of Macromolecular Science:Part A-Chemistry,1980,14(2):245—255
[33]Ding G,Rice J A.Effect of lipids on sorption/desorption hysteresis in natural organic matter.Chemosphere,2011,84(4):519—526
[34]Weber J W,Huang W,Yu H.Hysteresis in the sorption and desorption of hydrophobic organic contaminants by soils and sediments:2.Effects of soil organic matter heterogeneity.Journal of Contaminant Hydrology,1998,31(1/2):149-165
[35]Globus A M,Neusypina T A.Determination of the water hysteresis and specific surface of soils by electronic microhygrometry and psychrometry.Eurasian Soil Science,2006,39(3):270—277
[36] Lu N,Khorshidi M.Mechanisms for soil-water retention and hysteresis at high suction range.Journal of Geotechnical&Geoenvironmental Engineering,2015, 141(8):04015032