Michigan Technological University Digital Commons @ Michigan Tech Dissertations, Master's Theses and Master's Reports 2018 EVALUATION, IMPROVEMENT, AND APPLICATION OF MODELS OF ENVIRONMENTAL FATE AND TRANSPORT OF ATMOSPHERE- SURFACE EXCHANGEABLE POLLUTANTS (ASEPs) Tanvir Khan Michigan Technological University, [email protected] Copyright 2018 Tanvir Khan Recommended Citation Khan, Tanvir, "EVALUATION, IMPROVEMENT, AND APPLICATION OF MODELS OF ENVIRONMENTAL FATE AND TRANSPORT OF ATMOSPHERE-SURFACE EXCHANGEABLE POLLUTANTS (ASEPs)", Open Access Dissertation, Michigan Technological University, 2018. https://doi.org/10.37099/mtu.dc.etdr/593 Follow this and additional works at: https://digitalcommons.mtu.edu/etdr Part of the Environmental Engineering Commons, Environmental Monitoring Commons, and the Water Resource Management Commons EVALUATION, IMPROVEMENT, AND APPLICATION OF MODELS OF ENVIRONMENTAL FATE AND TRANSPORT OF ATMOSPHERE-SURFACE EXCHANGEABLE POLLUTANTS (ASEPs) By Tanvir R. Khan A DISSERTATION Submitted in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY In Environmental Engineering MICHIGAN TECHNOLOGICAL UNIVERSITY 2018 © 2018 Tanvir R. Khan This dissertation has been approved in partial fulfillment of the requirements for the Degree of DOCTOR OF PHILOSOPHY in Environmental Engineering. Department of Civil and Environmental Engineering Dissertation Advisor: Dr. Judith Perlinger Committee Member: Dr. Hugh Gorman Committee Member: Dr. Daniel Obrist Committee Member: Dr. Noelle Selin Committee Member: Dr. Noel Urban Committee Member: Dr. Shiliang Wu Department Chair: Dr. Audra Morse Table of Contents Preface................................................................................................................................ vi Acknowledgements ........................................................................................................... vii Abstract ............................................................................................................................ viii Introduction ..........................................................................................................................1 References ............................................................................................................................6 1 CHAPTER 1: Evaluation of five dry particle deposition parameterizations for atmospheric transport models ..............................................................................................9 1.1 Introduction ....................................................................................................10 1.2 Background ....................................................................................................15 1.2.1 Zhang et al. (2001) (Z01) scheme .....................................................15 1.2.2 Petroff and Zhang (2010) (PZ10) scheme ........................................18 1.2.3 Kouznetsov and Sofiev (2012) (KS12) scheme ................................23 1.2.4 Zhang and He (2014) (ZH14) scheme ..............................................26 1.2.5 Zhang and Shao (2014) (ZS14) scheme ............................................27 1.3 Methods ..........................................................................................................30 1.3.1 An evaluation of the dry deposition parameterizations ....................30 1.3.2 Uncertainty analysis ..........................................................................35 1.3.3 Sensitivity analysis............................................................................38 1.4 Results ............................................................................................................42 1.4.1 Evaluation of the dry deposition parameterizations ..........................42 Evaluation of dry deposition to grass..............................43 Evaluation of dry deposition to coniferous forest ...........45 Evaluation of dry deposition to deciduous forest ...........47 Evaluation of dry deposition to water surfaces ...............49 Evaluation of dry deposition to snow and ice surfaces ...50 1.4.2 Uncertainty analysis results from the Monte Carlo simulations .......52 Uncertainties in the modeled Vd for grass ......................54 Uncertainties in the modeled Vd for coniferous forest ...54 Uncertainties in the modeled Vd for deciduous forest ....55 Uncertainties in the modeled Vd for water surface ........56 Uncertainties in the modeled Vd for ice/snow surfaces ..56 Normalized uncertainties in the modeled Vd ..................57 1.4.3 Sensitivity analysis results: Sobol’ first order sensitivity index .......61 1.5 Discussion ......................................................................................................66 1.6 Conclusions ....................................................................................................74 iii 1.7 References ......................................................................................................77 1.8 Supplemental information ..............................................................................86 2 CHAPTER 2: Improvement in atmosphere-terrestrial exchange parameterizations of gaseous elemental mercury for application in chemical transport models ......................205 2.1 Introduction ..................................................................................................206 2.2 Parameterizations of Hg0 atmosphere-terrestrial exchange examined .........209 2.2.1 Modeling dry deposition of Hg0 .....................................................210 2.2.2 Modeling re-emission of Hg0 ..........................................................211 2.3 Methods ........................................................................................................212 2.3.1 Data description ..............................................................................212 2.3.2 Model evaluation and calibration....................................................213 2.4 Results and discussion ..................................................................................215 2.4.1 Evaluation of modeled net exchange fluxes in summer using the base model 215 Temperate grassland site at Früebüel, Switzerland .......215 Arctic tundra site at Toolik Field Station, Alaska .........218 2.4.2 Evaluation of modeled net exchange fluxes in winter using the base model 219 2.4.3 Model response to adjusted deposition parameterization (summer).......................................................................................................221 Model response to reduced stomatal uptake .................221 Model response to increased ground and cuticular uptake, and reduced stomatal uptake ...........................................................223 Model response to revised soil Hg0 re-emission and dry deposition parameterizations ..........................................................225 2.4.4 Model response to revised dry deposition and soil re-emission parameterizations in winter ..........................................................................229 2.4.5 Seasonal mercury accumulation in leaves estimated using the deposition model ..........................................................................................231 2.5 Conclusions ..................................................................................................233 2.6 References ....................................................................................................238 2.7 Supplemental information ............................................................................244 3 CHAPTER 3: Application of a multimedia model to investigate recovery of Lake Superior from historical polychlorinated biphenyl (PCB) contamination .......................246 3.1 Introduction ..................................................................................................247 3.2 Methods ........................................................................................................250 3.2.1 Site description................................................................................250 3.2.2 Model inputs ...................................................................................251 Congener-specific atmospheric PCB concentrations ....251 iv Lake and meteorological parameters ............................253 3.2.3 Model description ...........................................................................255 3.2.4 Model validation .............................................................................261 Data sets of measured PCB concentrations in water ....261 Data sets of measured PCB concentrations in sediment 261 3.2.5 Uncertainty analysis ........................................................................262 3.2.6 Modeling of PCB concentrations in fish .........................................263 3.3 Results and discussion ..................................................................................265 3.3.1 PCB concentrations in water ...........................................................266 3.3.2 PCB concentrations in surficial sediment .......................................271 3.3.3 Comparison of temporal trends of PCB concentrations in air, water, sediment, and fish .........................................................................................276 3.3.4 Uncertainty analysis ........................................................................280 Uncertainties in modeled water (epilimnion) concentrations