多介质迁移转化逸度模型的建立及软件实现
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摘要
气候变化和环境问题的全球化促使各国政府及科研机构致力于环境污染物的宏观环境行为研究,应用数学模型以及计算机软件技术模拟污染物在环境系统中的分布与归宿具有传统实验方法无可比拟的优越性,由此使得环境归趋研究的数字化得以形成并具有良好的发展前景。
在众多研究污染物的宏观环境行为的环境模型中,应用较多的是加拿大特伦特大学环境模型研究中心的Donald Mackay教授提出的逸度模型。本文针对有机污染物的污染问题,采用环境归宿模拟技术中的热点模型——多介质迁移转化逸度模型,提出了在环境六相中,优化的传质系数。并结合计算机软件技术,对有机污染物在环境不同介质中的迁移转化和归趋过程进行模拟,定量表征污染物的时空变化规律,并有针对性的提出了两点未来研究建议。
本文采用多介质环境逸度模型作为原型,针对所研究的具体问题,比较全面地考虑了有机污染物在所研究环境系统中的迁移、转化过程之后,开发出面向区域环境和有机污染物的动态多介质环境逸度模型,优化了多介质环境逸度模型中的部分内定参数,采用四阶Runge-Kutta的数值解法获得了高精度、收敛性好、稳定性高的模拟结果,并用软件实现模拟平台。
模拟平台采用Microsoft Visual Basic 6.0与Microsoft SQL Server 2000作为开发工具,开发出简洁、方便用户操作的应用系统平台。模拟过程中可进行灵敏度分析,方便筛选出影响因子较大的参数;系统运行过程的初始输入、中间结果、模拟结果等均以文件的形式输出,方便作其他方面的研究。
针对不同的区域环境和不同的有机污染物,结合相应的环境信息资料和污染物信息资料,模拟结果即可为模拟区域有机污染物的潜在风险评价提供参考依据。
The climate changing and the globalization of environment question urges various governments and scientific institutes devote to the research of macroscopic environment behavior of environment pollutants, using mathematics model as well as the computer software technology to simulate pollutants’distribution and fate in environment has the incomparable superiority which traditional experimental technique hasn’t. The above two reasons will form the tendency of the fate research digitization, which will obtain the profound development in the end.
Of many macroscopic environmental behavior models for pollutants researching, the fugacity model has been widely used, proposed by Professor Donald Mackay from environment model study center of Canada Trent University. In view of the question of pollution of organic pollutants, the environment end-result simulating system of regional environment’s organic pollutants oriented is studied and developed in this paper, which uses the hot spot model of the environment end-result simulating technology——multi- medium fugacity model and the computer software technology, which can simulate organic pollutants’fate in the different mediums and quota attribute the special and temporal changing regulations of fugacity, concentration and quality in the environment multi- mediums.
This paper uses the multi- medium environment fugacity model to take the prototype, in view of concrete question which is studied, comprehensively considering the environmental behaviors of organic pollutants, then the environment end-result simulating system of regional environment’s organic pollutants oriented is studied and developed, which optimizes some parameter in the multi- medium environment fugacity model and uses the value solution of four steps Runge-Kutta to obtain the simulating result which has high accuracy, good astringency and high stability.
The stimulating platform uses Microsoft Visual Basic 6.0 and Microsoft SQL Server 2000 as the developing platform to research and develop the convenient desktop application system. The simulating process sector analysis conveniently screens the big influent factor parameters. The system’s initial input, intermediate results, ending result may be produced as a report, which is separated from the system and can be used alone, so that users can conveniently makes other research outside the system.
According to the different regional environments, the analogue result can provide an effective approach for the latent risk assessment on the regional organic pollutants, when the corresponding regional environmental information is considered.
在众多研究污染物的宏观环境行为的环境模型中,应用较多的是加拿大特伦特大学环境模型研究中心的Donald Mackay教授提出的逸度模型。本文针对有机污染物的污染问题,采用环境归宿模拟技术中的热点模型——多介质迁移转化逸度模型,提出了在环境六相中,优化的传质系数。并结合计算机软件技术,对有机污染物在环境不同介质中的迁移转化和归趋过程进行模拟,定量表征污染物的时空变化规律,并有针对性的提出了两点未来研究建议。
本文采用多介质环境逸度模型作为原型,针对所研究的具体问题,比较全面地考虑了有机污染物在所研究环境系统中的迁移、转化过程之后,开发出面向区域环境和有机污染物的动态多介质环境逸度模型,优化了多介质环境逸度模型中的部分内定参数,采用四阶Runge-Kutta的数值解法获得了高精度、收敛性好、稳定性高的模拟结果,并用软件实现模拟平台。
模拟平台采用Microsoft Visual Basic 6.0与Microsoft SQL Server 2000作为开发工具,开发出简洁、方便用户操作的应用系统平台。模拟过程中可进行灵敏度分析,方便筛选出影响因子较大的参数;系统运行过程的初始输入、中间结果、模拟结果等均以文件的形式输出,方便作其他方面的研究。
针对不同的区域环境和不同的有机污染物,结合相应的环境信息资料和污染物信息资料,模拟结果即可为模拟区域有机污染物的潜在风险评价提供参考依据。
The climate changing and the globalization of environment question urges various governments and scientific institutes devote to the research of macroscopic environment behavior of environment pollutants, using mathematics model as well as the computer software technology to simulate pollutants’distribution and fate in environment has the incomparable superiority which traditional experimental technique hasn’t. The above two reasons will form the tendency of the fate research digitization, which will obtain the profound development in the end.
Of many macroscopic environmental behavior models for pollutants researching, the fugacity model has been widely used, proposed by Professor Donald Mackay from environment model study center of Canada Trent University. In view of the question of pollution of organic pollutants, the environment end-result simulating system of regional environment’s organic pollutants oriented is studied and developed in this paper, which uses the hot spot model of the environment end-result simulating technology——multi- medium fugacity model and the computer software technology, which can simulate organic pollutants’fate in the different mediums and quota attribute the special and temporal changing regulations of fugacity, concentration and quality in the environment multi- mediums.
This paper uses the multi- medium environment fugacity model to take the prototype, in view of concrete question which is studied, comprehensively considering the environmental behaviors of organic pollutants, then the environment end-result simulating system of regional environment’s organic pollutants oriented is studied and developed, which optimizes some parameter in the multi- medium environment fugacity model and uses the value solution of four steps Runge-Kutta to obtain the simulating result which has high accuracy, good astringency and high stability.
The stimulating platform uses Microsoft Visual Basic 6.0 and Microsoft SQL Server 2000 as the developing platform to research and develop the convenient desktop application system. The simulating process sector analysis conveniently screens the big influent factor parameters. The system’s initial input, intermediate results, ending result may be produced as a report, which is separated from the system and can be used alone, so that users can conveniently makes other research outside the system.
According to the different regional environments, the analogue result can provide an effective approach for the latent risk assessment on the regional organic pollutants, when the corresponding regional environmental information is considered.
引文
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2 D. Mackay. Multimedia Environmental Models: The Fugacity Approach. Second Edition.CRC Press, 2001: 55~65.
3董玉瑛,王炳莉.多介质模型的应用与展望.化工环保. 2005, 25(3): 199~203.
4翟平阳.松花江流域水质污染的防治.北方环境. 2003, (1): 12~14.
5苏青.吉林石化公司爆炸事故给松花江流域造成严重污染.科技导报. 2005, 23(12): 46~47.
6张全兴,王勇.树脂吸附法处理硝基苯和硝基氯苯生产废水的研究.化工环保. 1997, (6):323~326.
7卢玲,沈英娃.酚类、烷基苯类、硝基苯类化合物和环境水样对剑尾鱼和烯有Ju鲫的急性毒性.环境科学研究. 2002, 15(4): 57~59.
8刘黎阳,武海明.二硝基甲苯染毒大鼠肾脏、睾丸病理学观察.职业与健康. 2002, 18(1): 3~5.
9郎佩珍,龙凤山.松花江中游(哨口—松花江村段)水中有毒有机物污染研究.环境科学进展.1993, 1(6): 47~56.
10 D. C. Muir. Arctic Marine Ecosystem Contamination. Sci. Tot. Env., 1992, 122: 75~85.
11 R. Dandona, L. Dandona. Design Of A Population-based Study Of Visual Impairment In India. Toxicol. Environ. Health. 1997, 45(4): 251~257.
12 M. R. Patterson. User`s Manual For UTM-TOX, The Unified Transport Model. Bibliographic Citation, 2001: 433~437.
13 W. A. Tucker; K. F. Hedden. Air, Land, Water Analysis System (ALWAS): Multi-media Pathways of Organic Pollutants in Freshwater Systems. J. Environ. Sci. Health, 1986: 449~481.
14 D. M. Hetrick, L. M. McDowell-Boyer. User`s Manual for TOX-SCREEN: a Multimedia Screening-level Program for Assessing the Potential Fate of Chemicals Released to the Environment. J. Environ. Sci. Health,1984:295~305.
15 G. Whelan, D. L. Strenge. The Remedial Action Priority System (RAPS):Mathematical Formulations. NTIS, PC A14/MF,1987:23~50.
16 F. Wania, D. Mackay. Tracking The Distribution Of Persistent Organic Pollutants. Environ, Sci. Technol. 1996, 30(5): 390~396,273~281.
17 Y. Cohen, W. Tsai. Coal-fired MHD Test Progress at the Component Development and Integration Facility. Environmental Science & Technology, 1990: 1549~1558.
18张丽,戴树桂.多介质环境逸度模型研究进展.环境科学进展. 2005, 2(6): 97~101.
19刘国金,王志辉,马召坤.多介质逸度模型研究鄱阳湖流域p, p’–DDT.江西科学. 2007, 25(2): 141~146.
20曹红英,梁涛,陶澎. 1950年以来BHC在杭州环境中积累、迁移与残留动态的模拟研究.环境科学学报. 2005, 25(4): 475~482.
21叶常明,雷志芳,王宏.有机污染物多介质环境的稳态非平衡模型.环境科学学报. 1995, 15(2): 192~198.
22 D. Mackay, A. Finizio, T. Bidleman. Octanolair Partition Coefficient As A Predictor Of Partitioning Of Semivolatile Organic Chemicals To Aerosols. Atmos. Environ. 1997, 31(7): 2289~2296.
23 D. S. Ng-Mak, X. H. Hu, Y. Chen. Times to Pain Relief and Pain Freedom with Rizatriptan 10mg and Other Oral Triptans. International Journal of Clinical Practice. 2007, 61(7): 1091–1111, 741~743.
24 J. Devillers, S. Bintein, D. Domine. Modeling the Environmental Fate of Atrazine. SAR QSAR Environ Res. 1997, 6(1-2): 63~79.
25王红旗,陈家军.面向可持续发展地质环境系统模拟方法.中国环境科学. 1998, (18): 3~8.
26 W. H. Stiver, S. E. Guigard. A Density-Dependent Solute Solubility Parameter for Correlating Solubilities in Supercritical Fluids. Ind. Eng. Chem. Res. 1998, 37(9): 3786~3792.
27 M. MacLeod, D. Woodfine. A Dynamic Mass Budget for Toxaphene in North America. Environmental Toxicology and Chemistry. 2002, 21(8):1628~1637.
28曹红英,陶澎,王喜龙.天津地区菲的空间分异多介质归趋模型.环境科学. 2003, 24(5): 54~59.
29 R. Bru, R. Canto. M-multisplittings of Singular M-matrices with Application to Markov chains. J. Appl. Ecol. 1998, 5(4): 299~311.
30 L. C. Paraiba, P. Pulino. Pesticide Dispersion-advection Equation with Soil Temperature Effect. Environmetrics. 2003, 14(3): 323~337.
31赵南霞,王鹏,郑彤.松花江有机毒物环境归宿模型及程序设计.哈尔滨工业大学学报. 2001, 33(4): 479~481.
32侯玲,赵元慧,郎佩珍.有机污染物的迁移转化及模拟研究.东北师大学报自然科学版, 1999, (2): 48~56.
33 J. George, D. Frear. Pesticides in The Antarctic. J. Appl. Ecol. 1966, 3: 155~167.
34 F. Wania, D. Mackay. Global Fractionation and Cold Condensation of Low Volatility Organochlorine Compounds in Polar Regions. Ambio. 1993, 22(8): 10~18.
35詹世平,周集体.河流水质模型及存在问题.浙江水利科技. 2004, (4): 1~3.
36 S. Warren, D. Mackay. Linear Superposition in Modeling Contaminant Behavior in Aquatic Systems. Wat. Res. 1995, 28(3) 329~335.
37 D. Mackay, S. Paterson, M. A. Joy. Quantitative Water, Air, Sediment Interaction (QWASI) Fugacity Model for Describing the Fate of Chemicals in Lake. Chemosphere. 1983, 12(8): 981~997.
38 G. Bowes, C. Jonkel. Presence and Distribution of Polychlorinated Biphenyls (PCB) in Arctic and Sub-arctic Marine Food Chains. J. Fish. Res. Board Can. 1975, 32: 2111~2123.
39 M. Ouellet, J. Bonin, J. Rodrigue. Hind Limb Deformities in Free Living Anurans from Agricultural Habitats. 1997, 33(5): 95~104.
40戴树桂,宋仁高.分子连接性指数法研究.中国环境科学. 1992, 12(5): 333~337.
41林治华,曹一昕.分子距边矢量与烃类化合物的溶解度及辛醇/水分配系数定量关系的研究.环境化学. 2000, 19(6): 528~537.
42 A. Brouwer, D. C. Morse, M. C. Lans. Interactions of Persistent Environmental Organohalogens with the Thyroid Hormonesystem: Mechanisms and Possible Consequences for Animaland Human Health. Toxicol. Ind. Health. 1998, 14(5): 59~84.
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55叶常明.多介质环境污染研究.北京科学出版社, 1997, 147~151.
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57王连生,韩朔睽.有机物污染物化学进展.化学工业出版社, 1998: 26~100.
2 D. Mackay. Multimedia Environmental Models: The Fugacity Approach. Second Edition.CRC Press, 2001: 55~65.
3董玉瑛,王炳莉.多介质模型的应用与展望.化工环保. 2005, 25(3): 199~203.
4翟平阳.松花江流域水质污染的防治.北方环境. 2003, (1): 12~14.
5苏青.吉林石化公司爆炸事故给松花江流域造成严重污染.科技导报. 2005, 23(12): 46~47.
6张全兴,王勇.树脂吸附法处理硝基苯和硝基氯苯生产废水的研究.化工环保. 1997, (6):323~326.
7卢玲,沈英娃.酚类、烷基苯类、硝基苯类化合物和环境水样对剑尾鱼和烯有Ju鲫的急性毒性.环境科学研究. 2002, 15(4): 57~59.
8刘黎阳,武海明.二硝基甲苯染毒大鼠肾脏、睾丸病理学观察.职业与健康. 2002, 18(1): 3~5.
9郎佩珍,龙凤山.松花江中游(哨口—松花江村段)水中有毒有机物污染研究.环境科学进展.1993, 1(6): 47~56.
10 D. C. Muir. Arctic Marine Ecosystem Contamination. Sci. Tot. Env., 1992, 122: 75~85.
11 R. Dandona, L. Dandona. Design Of A Population-based Study Of Visual Impairment In India. Toxicol. Environ. Health. 1997, 45(4): 251~257.
12 M. R. Patterson. User`s Manual For UTM-TOX, The Unified Transport Model. Bibliographic Citation, 2001: 433~437.
13 W. A. Tucker; K. F. Hedden. Air, Land, Water Analysis System (ALWAS): Multi-media Pathways of Organic Pollutants in Freshwater Systems. J. Environ. Sci. Health, 1986: 449~481.
14 D. M. Hetrick, L. M. McDowell-Boyer. User`s Manual for TOX-SCREEN: a Multimedia Screening-level Program for Assessing the Potential Fate of Chemicals Released to the Environment. J. Environ. Sci. Health,1984:295~305.
15 G. Whelan, D. L. Strenge. The Remedial Action Priority System (RAPS):Mathematical Formulations. NTIS, PC A14/MF,1987:23~50.
16 F. Wania, D. Mackay. Tracking The Distribution Of Persistent Organic Pollutants. Environ, Sci. Technol. 1996, 30(5): 390~396,273~281.
17 Y. Cohen, W. Tsai. Coal-fired MHD Test Progress at the Component Development and Integration Facility. Environmental Science & Technology, 1990: 1549~1558.
18张丽,戴树桂.多介质环境逸度模型研究进展.环境科学进展. 2005, 2(6): 97~101.
19刘国金,王志辉,马召坤.多介质逸度模型研究鄱阳湖流域p, p’–DDT.江西科学. 2007, 25(2): 141~146.
20曹红英,梁涛,陶澎. 1950年以来BHC在杭州环境中积累、迁移与残留动态的模拟研究.环境科学学报. 2005, 25(4): 475~482.
21叶常明,雷志芳,王宏.有机污染物多介质环境的稳态非平衡模型.环境科学学报. 1995, 15(2): 192~198.
22 D. Mackay, A. Finizio, T. Bidleman. Octanolair Partition Coefficient As A Predictor Of Partitioning Of Semivolatile Organic Chemicals To Aerosols. Atmos. Environ. 1997, 31(7): 2289~2296.
23 D. S. Ng-Mak, X. H. Hu, Y. Chen. Times to Pain Relief and Pain Freedom with Rizatriptan 10mg and Other Oral Triptans. International Journal of Clinical Practice. 2007, 61(7): 1091–1111, 741~743.
24 J. Devillers, S. Bintein, D. Domine. Modeling the Environmental Fate of Atrazine. SAR QSAR Environ Res. 1997, 6(1-2): 63~79.
25王红旗,陈家军.面向可持续发展地质环境系统模拟方法.中国环境科学. 1998, (18): 3~8.
26 W. H. Stiver, S. E. Guigard. A Density-Dependent Solute Solubility Parameter for Correlating Solubilities in Supercritical Fluids. Ind. Eng. Chem. Res. 1998, 37(9): 3786~3792.
27 M. MacLeod, D. Woodfine. A Dynamic Mass Budget for Toxaphene in North America. Environmental Toxicology and Chemistry. 2002, 21(8):1628~1637.
28曹红英,陶澎,王喜龙.天津地区菲的空间分异多介质归趋模型.环境科学. 2003, 24(5): 54~59.
29 R. Bru, R. Canto. M-multisplittings of Singular M-matrices with Application to Markov chains. J. Appl. Ecol. 1998, 5(4): 299~311.
30 L. C. Paraiba, P. Pulino. Pesticide Dispersion-advection Equation with Soil Temperature Effect. Environmetrics. 2003, 14(3): 323~337.
31赵南霞,王鹏,郑彤.松花江有机毒物环境归宿模型及程序设计.哈尔滨工业大学学报. 2001, 33(4): 479~481.
32侯玲,赵元慧,郎佩珍.有机污染物的迁移转化及模拟研究.东北师大学报自然科学版, 1999, (2): 48~56.
33 J. George, D. Frear. Pesticides in The Antarctic. J. Appl. Ecol. 1966, 3: 155~167.
34 F. Wania, D. Mackay. Global Fractionation and Cold Condensation of Low Volatility Organochlorine Compounds in Polar Regions. Ambio. 1993, 22(8): 10~18.
35詹世平,周集体.河流水质模型及存在问题.浙江水利科技. 2004, (4): 1~3.
36 S. Warren, D. Mackay. Linear Superposition in Modeling Contaminant Behavior in Aquatic Systems. Wat. Res. 1995, 28(3) 329~335.
37 D. Mackay, S. Paterson, M. A. Joy. Quantitative Water, Air, Sediment Interaction (QWASI) Fugacity Model for Describing the Fate of Chemicals in Lake. Chemosphere. 1983, 12(8): 981~997.
38 G. Bowes, C. Jonkel. Presence and Distribution of Polychlorinated Biphenyls (PCB) in Arctic and Sub-arctic Marine Food Chains. J. Fish. Res. Board Can. 1975, 32: 2111~2123.
39 M. Ouellet, J. Bonin, J. Rodrigue. Hind Limb Deformities in Free Living Anurans from Agricultural Habitats. 1997, 33(5): 95~104.
40戴树桂,宋仁高.分子连接性指数法研究.中国环境科学. 1992, 12(5): 333~337.
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