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AbstractConstituents in the feed of reverse osmosis (RO) processes pass into the product by two mechanisms: diffusion through the membrane and advection through defects in the system. While minerals and tracers pass via both mechanisms, pathogens pass only via advection. Using mass and flow balances, a rigorous model is developed to characterize the response of both viruses and tracers in RO systems. The model is used to assess several tracers being considered today. Early virus testing and the commercial requirements of desalination are reviewed, leading to the conclusion that some degree of advection can be expected to be present in RO systems but that commercial incentives can be expected to maintain pathogen removal due to defects somewhat greater than 4.0 log. Model results suggest that the best tracers currently in use can detect defects near this log reduction value but that there is still room for improvement.

The parameters in a physiologically based pharmacokinetic (PBPK) model of methylene chloride were varied systematically, and the resulting variation in a number of model outputs was determined as a function of time for mice and humans at several exposure concentrations. The importance of the various parameters in the model was highly dependent on the conditions (concentration, species) for which the simulation was performed and the model output (dose surrogate) being considered. Model structure also had a significant impact on the results. For sensitivity analysis, particular attention must be paid to conservation equations to ensure that the variational calculations do not alter mass balance, introducing extraneous effects into the model. All of the normalized sensitivity coefficients calculated in this study ranged between −1.12 and 1, and most were much less than 1 in absolute value, indicating that individual input errors are not greatly amplified in the outputs. In addition to ranking parameters in terms of their impact on model predictions, time‐dependent sensitivity analysis can also be used as an aid in the design of experiments to estimate parameters by predicting the experimental conditions and sampling points which will maximize parameter identifiability.

The World's Glaciers and Ice Caps (GIC) contain a sea level rise (SLR) equivalent of about 0.4 m. Although their potential sea level contribution is small compared to Greenland (7.4 m) or Antarctica (58.3 m), the GIC are the largest contributor to global SLR at present. During the last 20 years, the GIC contributed 2.5 cm SLR vs 1 cm for Greenland and Antarctica. Rising global sea levels and posing a significant problem to society. Runoff from the melting GIC has an impact on the regional hydrology and freshwater supply. The latter is of great concern in highly populated regions such as Central Asia where it negatively affects economic activities and political stability. Defining consistent methodologies to monitor the state of GIC in these regions and reduce uncertainties regarding their specific ice mass loss and relative contribution to SLR is critical not only to science but to the public, policy development, and implementation. In this dissertation, we use available satellite and modeling techniques to estimate recent contribution to sea level rise by the ice-covered regions outside the two ice sheets during the last two decades. We estimate glacier mass balance employing: time-variable gravity measurements by the NASA GRACE mission, and satellite altimetry by the NASA ICESat and the ESA CryoSat-2 mission. These techniques are applied in key regions of the Arctic, where increasing atmospheric and ocean temperatures have led to accelerating glacier mass losses. In the second part of this work is focused on the glaciers High Mountains of Asia, the largest freshwater reservoir outside the Polar Regions. Here, we use a mixture of remote sensed observations and atmospheric models to characterize the effect of glacier mass loss on the water cycle of the Indus River Basin.This work helps improve our general understanding of the mechanisms driving current glaciers and ice caps mass change and its relative impact on freshwater availability and sea level rise during the next century.

Perfluoroalkyl substances (PFASs) are man-made chemicals. Their unique properties make them beneficial for a wide range of industrial and consumer product applications, such as in aqueous film forming foam (AFFF), durable water repellent clothing, hydraulic oils and food packaging materials. Perfluoroalkyl acids (PFAAs), a class of PFASs, are highly persistent in the environment, and long chain PFAAs are bioaccumulative and toxic. International regulation and voluntary actions by the industry have been implemented and led to a recent reduction of primary emissions of PFAAs to the environment. However, point sources such as AFFF training sites as well as diffuse sources continue to contaminate water bodies, soil and biota. Reducing environmental pollution with PFAAs has therefore become a regulatory priority. Designing successful measures to reduce the PFAA contamination requires an understanding of the sources, transport and fate of PFAAs in the environment. Four scientific publications are included in this PhD thesis, which aimed at increasing the holistic understanding of the fate of PFAAs in aquatic systems. This was achieved by chemical trace analysis combined with mass balance modeling. The following topics were covered: Dispersion and fate of PFAAs from an AFFF-impacted site (Paper I), recirculation of PFAAs in the aquatic environment with focus on waste water treatment plants (WWTPs, Paper II), mass balance of PFAAs in the Baltic Sea (Paper III) and transport and fate of PFAAs in two pristine boreal stream catchments (Paper IV). Results from Paper I showed that AFFF-impacted sites at a former military airfield, which was abandoned for more than 30 years, continue to be point sources of PFAAs to recipients. The sum of PFAAs in the ground water and surface waters ranged from 740 to 51000 ng L-1 and <0.5 to 79 ng L-1, respectively. PFOS in muscle tissue of European perch from a nearby lake ranged from 77 to 370 ng g-1 wet weight, representing among the highest values reported worldwide for fish muscle. In Paper II the relative importance of environmental recirculation of PFAAs versus new releases from the technosphere was investigated for PFAAs in WWTP influents. It was shown that tap water can be an important source of PFAAs to WWTPs in areas with elevated environmental levels. This needs to be taken into account when calculating emissions via WWTP effluents. PFAA mass balances over the WWTPs suggested that PFHxA and PFOA were formed from precursor compounds within the plants. Assembled PFAA mass balances for the Baltic Sea (Paper III) showed that river inflow and atmospheric deposition were the dominant input pathways, while wastewater treatment plant (WWTP) effluents discharging directly into the Baltic Sea made a minor contribution. The inputs of PFAAs were estimated to be higher than the outputs, suggesting a current increase of the PFAA inventory in the Baltic Sea. Also the mass balance study of PFAAs in two remote stream catchments presented in Paper IV revealed that inputs dominated over outputs for both catchments, indicating that a considerable portion of the PFAAs deposited from the atmosphere is retained in soil or in deep ground water and may be released to surface and marine water environments in the future ; Perfluoralkilne tvari (PFASs) su umjetne kemikalije. Zbog svojih jedinstvenih svojstava široko su primjenjive u industriji i izradi proizvoda krajnje potrošnje kao što su pjena za gašenje požara (AFFF), vodootporna odjeća, hidraulična ulja i pakiranja za hranu. Perfluoralkilna kiselina (PFAAs) iz skupine perfluoralkilnih tvari iznimno je dugotrajna u okolišu, a dugolančane PFAAs su bioakumulativne i otrovne. Poduzeta međunarodna regulativa i dobrovoljne akcije vodile su nedavno smanjenoj primarnoj emisiji PFAAs u okoliš. Unatoč tome, primarni izvori, kao što su mjesta na kojima se provode treninzi za gašenje požara i difuzni izvori i dalje zagađuju vode, tlo i biotu. Zbog toga, smanjenje onečišćenja okoliša izazvanog PFAAs predstavlja regulatorni prioritet. Stvaranje uspješnih mjera kojima bi se smanjilo onečišćenje izazvano PFAAs zahtjeva razumijevanje izvora, prijenosa i sudbine tih tvari u okolišu. U ovaj doktorat uključena su četiri znanstvena članka kojima je cilj povećati sveukupno razumijevanje sudbine PFAAs u vodenim sustavima. To je postignuto kemijskom analizom elemenata u tragovima u kombinaciji s modeliranjem masene ravnoteže. Obrađene su sljedeće teme: Širenje i sudbina PFAAs na područjima zahvaćenim AFFF (Članak I), ponovna cirkulacija PFAAs u vodenom okolišu s naglaskom na postrojenja za pročišćavanje otpadnih voda (Članak II), masena ravnoteža PFAAs u Baltičkom moru (Članak III) te prijenos i sudbina PFAAs u dva udaljena sjeverna vodena toka (Članak IV). Rezultati iz Članka I pokazali su da su područja zahvaćena AFFF na bivšem vojnom aerodromu napuštenom prije 30 godina i dalje je glavni izvor PFAA zagadenja okolisa. Zbroj PFAAs u podzemnim i površinskim vodama kreće se u rasponu od 740 do 51000 ng L-1 i <0.5 do 79 ng L-1. PFOS u mišićnom tkivu grgeča iz obližnjeg jezera kreće se od 77 do 370 ng g-1 mokre težine, predstavljajući jednu od najviših vrijednosti u svijetu za riblje mišiće. Članak II istražuje relativnu važnost ponovne cirkulacije PFAAs imajući na umu novu emisiju PFAAs iz tehnosfere u postrojenjima za pročišćavanje otpadnih voda. Cirkulacija/kruženje u okolišu može se pojaviti kada PFAAs iz sustava pitke voda (rijeka, bunara i jezera) odlaze u otpadne vode. Prikazano je kako voda iz slavine može biti važan izvor PFAAs sustavima za pročišćavanje otpadnih voda u područjima s povišenim razinama zaštite okoliša. To se treba uzeti u obzir pri računanju emisije putem strojeva koji se koriste za pročišćenje otpadnih voda. Masena ravnoteža PFAA u postrojenjima za pročišćavanje otpadnih voda upućuje na to da su PFHxA i PFOA stvoreni kao prethodni spojevi unutar postrojenja. Prikupljene masene ravnoteže PFAA za Baltičko more (Članak III) pokazale su da su pritoke rijeka i atmosfersko taloženje dominantni ulazni putovi, dok postrojenja za pročišćenje otpadnih voda pridonose tek u manjoj mjeri. Ulaz PFAAs je procijenjen višim od izlaza, što objašnjava trenutno povećanje sadržaja PFAA u Baltičkom moru. Masena ravnoteža PFAAs u dva udaljena riječna toka predstavljena u Članku IV otkriva da ulaz dominira nad izlazom za oba riječna toka, što upućuje na značajan udio PFAAs koji je iz atmosfere zadržan u tlu ili podzemnim vodama te može biti ispušten u područja površinskih voda i mora. ; Perfluorerade alkylsyror (PFAA) är kemikalier som är producerade av människan. Deras unika egenskaper gör att de kan användas i många olika industriella applikationer. PFAAs används i brandsläckningsskum, vattenavvisande kläder, hydrauliska oljor och matförpackningar. PFAAs har visat sig vara persistenta i miljön, och långkedjiga PFAA-homologer har visat sig vara bioackumulerbara samt ha en toxisk verkan. Reglering på internationell nivå tillsammans med initiativ från industrin har lett till minskning av direkta utsläpp. Punktkällor som brandövningsplatser samt andra diffusa källor fortsätter att förorena omgivande vattendrag, jordlager och fauna. Den utbredda föroreningen av PFAAs har därför blivit prioriterad för reglering. För att förstå utsläppen av PFAAs i miljön, hur de transporteras samt deras öde i miljön, är det viktigt att utföra studier som belyser dessa områden. Denna doktorsavhandling inkluderar fyra vetenskapliga publikationer. Syftet med de underliggande studierna var att öka den holistiska förståelsen av PFAAs rörelse i akvatiska system. Studierna gjordes genom att kombinera kemiska analysmetoder med modellering. Följande studier genomfördes; Transport och spridning av PFAAs från en brandövningsplats (Paper I), recyklering av PFAAs i den akvatiska miljön med fokus på vattenreningsverk (Paper II), massbalans av PFAAs i Östersjön (Paper III), transport och öde av PFAAs i två pristina vattendrag (Paper IV). Resultat från (Paper I) visade att brandövningsplatser vid en flygplats som inte har varit i bruk i mer än 30 år, fortfarande är punktkällor av PFAAs till omgivande vattendrag. Summan av PFAAs koncentrationer i grundvattnet och ytvattnet sträckte sig från 740 till 51000 ng L-1 och <0.5 till 79 ng L-1 i respektive vattendrag. Koncentrationen av PFOS i muskelvävnad från aborre i en av sjöarna var 77 till 370 ng g-1 våtvikt. Dessa värden representerar några av de högsta uppmätta koncentrationerna i världen. I Paper II testades betydelsen av PFAAs från recirkulering i miljön i jämförelse med nya utsläpp från teknosfären. Recirkulering av PFAAs i miljön kan förekomma då PFAAs i inkommande vatten till reningsverk kommer från dricksvatten. Denna studie visar att dricksvatten kan vara en påtaglig källa av PFAAs till vattenreningsverk i områden med förhöjda halter av PFAAs i miljön. Detta måste tas hänsyn till när man beräknar emissioner med utgående vatten från vattenreningsverk. Massbalanser av PFAAs i reningsverken visar att PFHxA och PFOA bildades av prekursorämnen i vattenreningsverken. I Paper III beräknades massbalanserna av PFAAs i Östersjön, beräkningarna visar att floder och atmosfärisk nedebörd var de viktigaste källorna medan utsläppen från vattenreningsverk var markant lägre. Importen av PFAAs estimerades vara högre än exporten, varför vi tror att PFAAs mängden I Östersjön kommer att öka över tid. Vidare gjordes en mass balans av PFAAs i två avlägsna avrinningsområden (Paper IV). Resultaten visar att importen av PFAAs dominerar över exporten från båda avrinningsområdena. Detta indikerar att en stor del av PFAAs som kommer ner via nederbörd kommer att ansamlas i jorden eller i grundvattnet. Dessa PFAAs kan vid senare tillfälle komma att släppas ut till floder som rinner ut i marina vatten. ; At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 2: Manuscript.

The present study intends to estimate the surface runoff and groundwaterrecharge in Lialan basin using the soil conservation service method (curve number)and chloride mass balance method (CMB) respectively. Lialan basin is located at thesoutheast part of Kirkuk governorate, between longitudes (44° 21' 00" E - 44° 42'00" E) and latitudes (35° 7' 30" N - 35° 28' 30" N) , which covering an area of about436 km2 and contains many geological formations. In this study, based on theannual rainfall data extending from (1970 - 2016) obtained from the Kirkukmeteorological station, the surface runoff was calculated using the curve numbermethod (CN), and found to be equal to 90.4 mm/year, which represent 26.07 % ofthe total rainfall. While the groundwater recharge was calculated depending on theannual rainfall and chloride concentrations in rainfall and groundwater using thechloride mass balance method (CMB) and found it equals 23.07 mm/year,representing 7.42 % of the total rainfall. Thus the annual recharge amount for thewhole basin is equal to 10.0585 × 106 m3 / year. Generally, the results indicate adirect relationship between the systems of runoff and groundwater recharge inLialan basin with total rainfall .

Glacial changes play a key role both from a socio-economical and political, and scientific point of view. The identification and the understanding of the nature of these changes still poses fundamental challenges for climate, glacier and water research. Many studies aim to identify the climatic drivers behind the observed glacial changes using distributed surface mass and energy balance models. Distributed surface mass balance models, which translate the meteorological conditions on glaciers into local melting rates, thus offer the possibility to attribute and detect glacier mass and volume responses to changes in the climatic forcings. A well calibrated model is a suitable test-bed for sensitivity, detection and attribution analyses for many scientific applications and often serves as a tool for quantifying the inherent uncertainties. Here we present the open-source coupled snowpack and ice surface energy and mass balance model in Python COSIPY, which provides a lean, flexible and user-friendly framework for modelling distributed snow and glacier mass changes. The model has a modular structure so that the exchange of routines or parameterizations of physical processes is possible with little effort for the user. The model has a modular structure so that the exchange of routines or parameterizations of physical processes is possible with little effort for the user. The framework consists of a computational kernel, which forms the runtime environment and takes care of the initialization, the input-output routines, the parallelization as well as the grid and data structures. This structure offers maximum flexibility without having to worry about the internal numerical flow. The adaptive sub-surface scheme allows an efficient and fast calculation of the otherwise computationally demanding fundamental equations. The surface energy-balance scheme uses established standard parameterizations for radiation as well as for the energy exchange between atmosphere and surface. The schemes are coupled by solving both surface energy balance and subsurface fluxes iteratively in such that consistent surface skin temperature is returned at the interface. COSIPY uses a one-dimensional approach limited to the vertical fluxes of energy and matter but neglects any lateral processes. Accordingly, the model can be easily set up in parallel computational environments for calculating both energy balance and climatic surface mass balance of glacier surfaces based on flexible horizontal grids and with varying temporal resolution. The model is made available on a freely accessible site and can be used for non-profit purposes. Scientists are encouraged to actively participate in the extension and improvement of the model code.