M ulti-disciplinary/scale m odeling o f the Scheldt Estuary and tidal river netw ork (a collection o f articles from 2009 to today) de Brauwere A nouk Université catholique de Louvain, Institute o f Mechanics, Materials and Civil Engineering (IMMC), 4 Avenue G. Lemaître, Bte L4.05.02, B-1B48 Louvain-la-Neuve, Belgium E-mail: anouk.de brau we re@uclouvain.be From 2007 to today, A n ou k de Brauwere has been the d riving force behind several innovating m odelling developm ents w ith applications to the Scheldt Watershed. Functioning as a bridge between hydrodynam ica! m odellers at UCL and tw o teams o f environm ental expe rim en talists at VUB (metals) and ULB (fecal bacteria), she coordinated the im plem entation o f a m ulti-disciplina ry, and multi-scale reactive tra n sp o rt m odel to study environm ental questions in the Scheldt Basin. The key concept o f th is study was ‘ in te g ra tio n ’: integ ra tion o f the necessary m u lti-d isp lin a ry knowledge (hydrodynam ics, com p uta tio na l flu id mechanics, m icrobiology, (geo)chem istry), but also the spatial integration o f m orph olo gica lly and dynam ically d is tin c t regions, resulting in a single model representing the whole tid a l continuum from Ghent to the North Sea. Thanks to th is integrative nature, the m odel has a unique potential to study processes and concentrations at the basin-scale, i.e. e x p lic itly including all forcings. This offers possibilities not o nly to better understand the processes and th e ir effects, but also to assess the im pact o f hypothetical fu tu re (managem ent or accidental) scenarios fo r the whole Scheldt Watershed and the North Sea. Three main study subjects were studied so far: 1. Hydrodynamica! modelling and timescales for water transport This new model was b u ilt using the general architecture o f the Second-generation Louvain-la-Neuve Ice-ocean Model (SLIM, w w w .clim a te .b e /slim ). The specificity o f th is m odel is th a t it uses the fin ite elem ent m ethod to solve the governing equations, which allows fo r the use o f unstructured meshes fo r the spatial discretisation o f the dom ain. An unstructured mesh has a resolution th a t can greatly vary over the dom ain, i.e. in sub-regions o f interest or subject to more com plex dynamics the resolution (and thus the com putational e ffo rt) can be increased compared to o the r areas. This im plies a great fle x ib ility th a t has unique advantages fo r m ulti-scale/physics problem s. In the case o f the Scheldt, th is fle x ib ility has enabled the integration o f the upstream tid a l river netw ork, the Scheldt Estuary as well as the N orth-w estern European C ontinental Shelf in one single model. The large marine part facilitates a more accurate sim ulation o f the tides or storm surges as th ey enter the Scheldt Estuary. Yet, as the mesh is less resolved in th is large part o f the dom ain (grid size ~ 50 km com pared to a resolution down to 60 m in the estuary), the com putational cost is only doubled compared to a situation where o nly the Scheldt Estuary and the tid al rivers would be included. A fte r having validated the hydrodynam ica! m odel (de Brye et al., 2010), the m odel was not yet practical fo r environm ental applications. In th is form , the inform a tion is s till very com plex (fields varying spatially and te m p o ra lly at a high resolution) and hence d iffic u lt to use fo r diagnostic purposes. Therefore, it is useful to derive diagnostic variables which sum m arize some o f the main tra n sp o rt features present in the com plex raw hydrodynam ica! outputs. This is the general m otivation behind the use o f tim escales like w ater residence tim e and w ater age, which are often used in b io log ica l/ch em ical/g eo lo g ica l studies to express the tim e spent by w ater in a given dom ain which can then be conveniently com pared to o the r tim escales of more b io log ica l/ch em ical/g eo lo g ica l relevance. We com puted these tim escales fo r the Scheldt Estuary, com bining rigorous theoretical form ulas w ith the com plex hydrodynam ica! m odel, such th a t we can be co nfid en t th a t th ey integrate all relevant physical processes (tim e-varying residual current, tides, tu rb u le n t diffusion). The d e fin itio n o f the residence tim e is the tim e th a t w ill be spent by a given w ater parcel in the estuary u ntil it leaves it fo r the firs t tim e. According to th is d e fin itio n , it is clear th a t the residence tim e is both variable in space (as it depends on where the w ater parcel is at the m om ent the tim e m easurem ent is started) and tim e (since it w ill depend on the actual hydrodynam ica! co nditions at the in itia l or release tim e). Therefore, in a firs t study we com puted the residence tim e fo r IB boxes in the estuary (spatial variability) and fo r d iffe re n t in itia l tim es (tem poral variability) (de Brauwere et al., 201 la). - 10 - Great. Britain continental Europe Bath Canai, Port of Antwerp docks mouth U l I C I IL Durme Terneuzen Canal upstream estuarine limit Scheldt D ender V ' Dyle JOeine Nete Grote Nete Senne 50.93 The spatial variation was a pp ro xim a tely as expected, i.e. m onotonically decreasing tow ards the m outh - except th a t fo r the m ost upstream box the residence tim e was close to zero. A t firs t, this may seem co un ter-in tu itive but in fact it is in line w ith the d e fin itio n : close to the upstream boundary o f the estuary the w ater w ill also q uickly ‘ leave the estuary fo r the firs t tim e ’, due to the tides periodically pushing the w ater upstream . Obviously, th is is not consistent w ith the em pirical meaning generally a ttrib u te d to the residence tim e: it is supposed to express the to ta l exposure o f a w ater body in a dom ain. In order to account fo r th is generalisation an alternative tim escale has been defined: the exposure tim e. When com puted fo r the IB boxes in the Scheldt Estuary, the exposure tim e in the m ost upstream box is indeed the highest, and in any box it is higher than the respective residence tim e. To investigate the tem poral va ria b ility o f the residence and exposure tim e, we com pared the tim escales com puted fo r initia l tim es in w in te r and summ er, and fo r each season at high and low tide. As expected, the tim escales are longer in summ er, due to the lower upstream river discharge. - 11 - Equally expected was the fact th a t at low tide the tim escales were longer than when starting at high tide - because at low tide the w ater w ill firs t be pushed up the estuary. However, it was to ta lly unexpected to fin d th a t the difference between the high and low tide tim escales were so large: up to alm ost 20 days. In o th e r words, at the m ost dow nstream box, the exposure tim e o f w ater parcels ‘ released’ at a 6 hour interval varies between 9 (start at high tide) and 28 days (start at low tide)! These results illustrate th a t the seem ingly simple concept o f residence tim e hides several subtleties th a t are often not considered in applications, but may be o f sign ifican t im portance. These observations m otivated us to fu rth e r refine th is study. A firs t refinem ent consisted o f com puting the ‘ partial exposure tim e s ’ o f the IB estuarine boxes, i.e. the to ta l tim e spent in each box, instead o f in the whole estuary. Doing th is fo r w ater in itia lly in each box at a tim e, we obtained a ‘connectivity m a trix ’, relating the initia l position o f w ater w ith the tim e it spends in each box. T his inform a tion is nothing but a sophisticated sum m ary o f the com plex underlying hydrodynam ics, b ut now it is much more useful fo r applications, e.g. to q uickly assess the im pact o f an accidental p o llu tio n event somewhere in the estuary on the d iffe re n t sub-regions o f the estuary, or to evaluate how long w ater stays in subregions known to be favourable fo r the grow th o f a certain species. In a subsequent refinem ent e ffo rt, we increased the resolution o f the com puted residence and exposure tim e, such th a t th e ir value is now known fo r every m odel grid cell and m odel tim e step (de Brye et al., 2012). This is appealing because it provides actual ‘ m ovies’ o f the tim escales varying in tim e and space. However, the results are again too com plex to be easily usable fo r diagnostic applications. The tidally-averaged pictures reveal th a t the residence and exposure tim es e x h ib it su rp rising ly little lateral variation, i.e. the lo n g itu d in a l trend observed w ith the 13 boxes is relatively accurate. In contrast, there is great spatial heterogeneity in the tem poral va ria b ility associated w ith the tim escales, resulting fro m a com plex interplay o f bathym etry and w ater discharge. Besides th is detailed study o f the residence and exposure tim es, the w ater age was also investigated. As opposed to the firs t tim escales, the age is defined as the tim e since a given w ater parcel has entered the estuary. Again, the age varies in space and tim e, but it is also dependent on the ‘entrance’ th ro u g h which the w ater entered. In o th e r words, fo r each d iffe re n t w ater source, a d iffe re n t age can be defined. In the case o f the Scheldt Estuary, a d is tin ctio n was made between w ater com ing fro m upstream (freshwater), fro m dow nstream (sea water) and from lateral inputs like canals and harbour locks. With the above tim escale studies in the Scheldt Estuary, it has become a benchm ark application. For instance, one recent study illustrated the m eaning o f another tim escale fo r w ater renewal, the socalled ‘ influence tim e ’, again on the Scheldt Estuary (Delhez et al., in review). New ongoing w ork consists o f com puting yet another new tim escale, the ‘ partial age’ (a generalisation o f the age concept), in the Scheldt Estuary. 2. Modelling Escherichia coli concentrations as an indicator of fecal pollution Due to its intensive agriculture, high concentration o f in d u stry and large population density, the Scheldt Watershed is subject to sign ifican t p ollutio n pressure. Discharge o f wastewaters or ru n -o ff loaded w ith animal or human fecal m aterial degrades the m icrobiological w ater quality, i.e. increases the risk o f having m icrobial pathogens present in the natural surface water. Because these pathogens are too diverse, and often present o nly at very low concentrations, it is not feasible to system atically m o n ito r all th e ir concentrations. Instead, it has been decided to measure the concentration o f a small num ber o f so-called ‘fecal ind icato r bacteria’, o f which Escherichia coli (E. coli) is one o f the m ost im portant. Its concentration in the Scheldt Watershed has been m onitored in 2007-8 by colleagues at the ULB, but the results were so variable in tim e th a t they were d iffic u lt to interpret. It is well known th a t E. coli concentrations can vary over orders o f m agnitude in natural systems, but the possible causes in the case o f the Scheldt were too num erous (water discharge, upstream inputs, wastew ater trea tm en t plant inputs, interaction w ith sediment, tides, tem perature effect) to disentangle them em pirically. If we could o nly sim ulate all these effects in a single model, we m ig ht be able to q u a n tify th e ir relative im portance... So, an E. coli m odule was added to SLIM. A firs t model considered only the tid al part o f the Scheldt Basin, and represented the bacteria as a single pool (de Brauwere et al., 2011b). Yet, the results were already quite interesting. Indeed, it appeared th a t the inputs due to the w astewater trea tm en t plants, as well as the tem perature effect were negligible to explain the observed variability. In contrast, the w ater entering the tid a l dom ain from upstream was already highly polluted, such th a t it to a great e xten t determ ined the levels observed in the tid al river. This was especially the case fo r the w ater com ing fro m Brussels and entering the tid al Scheldt via the Zenne, Dijle and Rupel. In com bination w ith the tid al m ixing action, these h ighly concentrated upstream (and side) inputs caused greatly varying concentrations - 12 - in the Scheldt. Downstream o f the main tribu taries, the gradual decay o f the bacteria and continuous d ilu tio n results in a steep decrease o f the E. coli concentrations dow nstream o f Antw erp. Close to the estuary m outh, the bacteria have alm ost disappeared, and the estuary has thus e ffectively operated as a cleaning filte r. In a second m odel, we fu rth e r extended both the geographical dom ain and the representation o f the bacteria pools. By coupling SLIM (tidal rivers + estuary + sea) w ith an ecohydrological m odel o f the upstream river catchm ent (Ouattara et a i, in press), we e ffectively integrated the com plete Scheldt Watershed in a single sim ulation (de Brauwere et a i, 2014). Instead o f using these tw o tools as com peting models, each o f them was used in the dom ain fo r which it was o rig in a lly designed and clearly o u tp erfo rm s the o the r m odel. This resulted in a unique coverage o f the whole Scheldt lan dsea continuum fro m the source all the way to the North Sea. As the firs t m odel showed the im portance o f the upstream rivers (and especially the Brussels area), th is integration allowed to include all E. coli sources e xplicitly. In addition to the geographical m odel integration, we fu rth e r refined the m odel by d ividing the bacteria pool in free -floa ting bacteria and those attached to particles. While the firs t are transported along w ith the water, the latter are also subject to settling and resuspension processes. To e x p lic itly represent these processes, a new suspended sedim ent m odel has been developed w ith in the SLIM architecture (Gourgue e t a i, in press). The results o f this second model study confirm the previous observation on the im portance o f the tides, and the weak effect o f the wastewater trea tm en t plants in the tid a l part. Besides, th ey suggest th a t the sedim entrelated processes are actually not essential to reproduce the median E. co li concentrations along the Scheldt, nor the observed va ria b ility at a given location. Nevertheless, the e x p lic it d istin ction between free and attached bacteria increases the insig ht in the system and offe rs more interpretatio n possibilities. As an illu stratio n o f the potential o f th is new m odelling tool, we also perform ed tw o sim ulations considering extrem e (w orst case and best case) situations o f Brussels wastewater management. The effect o f both scenarios is clearly observable all the way to Antw erp. Several side-studies were also perform ed related to the E. coli m odel in the Scheldt. These studies range from sem i-theoretical considerations on the param eterisation o f the settling flu x (de Brauwere and Deleersnijder, 2010), establishing where and when new w ater q u a lity samples should be taken in ord er to reduce the model uncertainty m ost (de Brauwere e t a i, 2009), derivation and com putation o f the age associated to the bacteria (M atton, 2012), to the p ublication o f an exhaustive literature review o f the e xistin g m odels fo r fecal ind icato r organism s in natural surface waters (de Brauwere e t a i, in press). 3. First steps towards modelling metal spéciation Besides m icrobiological w ater quality, SLIM could also be extrem ely useful fo r the study o f other pollutants. Especially its large dom ain, and its a b ility to provide h ighly resolved (both spatially and tem porally) o u tp u ts makes it an interesting to o l fo r risk assessments. Therefore, we started to build a new SLIM m odule to allow the sim ulation o f dissolved and particulate metals (Elskens et a i, in review). By m erging the long-term data records collected by VUB, ULB and VMM, em pirical fu nctio ns were derived, relating the to ta l metal concentration to environm ental variables (salinity and suspended sedim ent concentration). This means th a t if SLIM sim ulates these environm ental variables, we can reconstruct or predict the metal concentration at each location and each tim este p o f the sim ulation. A second em pirical fu n ctio n was estiblished linking the metal p a rtitio n in g co efficie nt (i.e. the ratio between particulate and dissolved metal concentration) to environm ental variables. A pplying this fu nctio n to the SLIM o utp uts and the reconstructed metal concentrations then allowed producing high-resolution fie ld s o f dissolved and particulate metal concentration. This means th a t SLIM can be used to produce ‘ m ovies’ o f dissolved and particulate metal concentrations, allow ing in fin ite ly more detailed analyses than based on d irect p oint m easurem ents alone. This being said, the lim ita tio n o f th is approach lies in the em pirical fu nctio ns, which are only valid w ith in th e ir calibration dom ain. In o the r words, although th is com bined model is already a sign ifican t step forw ard, it cannot be tru s tfu lly used fo r scenario evaluations or even predictions fo r periods outside the one covered by the calibration dataset (1980-2010). Therefore, we now focus on the developm ent o f a fu lly m echanistic metal module. Conclusion The cited w ork has obviously been produced by a team o f researchers. Nevertheless, it is the m erit o f A nouk de Brauwere to have facilita te d th e ir collaboration, crossing not only scientific boundaries, but also language and in stitu tio n a l ones. A fte r 6 years, we are proud o f the results, but are also well aware th a t the w ork is fa r from finished. There are clear scientific challenges w aiting fo r us: closer collaboration w ith geochem ists and environm ental chem ists to develop a m echanistic metal model, - 13 - investigate the potential o f m odelling newly em erging p ollutants like nanom aterials and endocrine disruptors, ecological m odelling. N otw ithstanding the sig n ifica n t e ffo rt put so fa r in the scientific integration, we w ant to fu rth e r increase it in order to dem onstrate the usefulness o f our developed tools. Yet, if we really w ant to go to the next level, we should include players and interests beyond the science platform . The Scheldt Basin being densely populated, better understanding and predicting the com plex dynamics o f the river system and its response to the diverse p ollution pressures has a clear im portance fo r society. We see o u r application to the VLIZ North Sea Award as a firs t a tte m p t to take th is step. References de Brauwere A., F. De Ridder, O. Gourgue, J. Lambrechts, R. Combien, R. P in te lo n J . Passerai, P. Servais, M. Elskens, W. Baeyens, T. Kärnä,.B. de Brye and E. Deleersnijder. 2009. Design o f a sam pling strategy to o p tim a lly calibrate a reactive tra n s p o rt m odel: Exploring the potential fo r Escherichia coli in the Scheldt Estuary. Environm ental M odelling & Software 24: 969-981, d o i:l 0 .1 0 1 6 /j.e n vso ft.2 0 0 9 .0 2 .0 0 4 . de Brauwere A. and E. D eleersnijder. 2010. Assessing the param eterisation o f the settling flu x in a depth-integrated m odel o f the fate o f decaying and sinking particles, w ith application to fecal bacteria in the Scheldt Estuary. Environ. Fluid Mech. 10:157-175. de Brauwere A., B. de Brye, S. Blaise and E. Deleersnijder. 201 la . Residence tim e, exposure tim e and connectivity in the Scheldt Estuary. Journal o f Marine Systems 84:85-95, doi: 10.1016 /j.jm a rs y s .2 0 1 0.10.001. de Brauwere A., B. de Brye, P. Servais, J. Passerai, and E. Deleersnijder. 201 lb . M odelling Escherichia coli concentrations in the tid a l Scheldt river and estuary. Water Research 45:27242738, doi:DOI: 1 0.1016 /j.w a tre s .2011.02.003. de Brauwere A., O. Gourgue, B. de Brye, P. Servais, N.K. O uattara and E. Deleersnijder. 2014. Integrated m odelling o f faecal contam ination in a densely populated river-sea continuum (Scheldt River and Estuary). Science o f the Total Environm ent 468-169:31 -45. de Brauwere A., N.K. O uattara and P. Servais (in press). M odeling fecal indicator bacteria concentrations in natural surface waters: a review. Crit. Rev. Environ. Sei. Technol., doi: 1 0 .1 08 0 /10 64 33 8 9.2 01 3.829978. de Brye B., A. de Brauwere, O. Gourgue, T. Kärnä, J. Lambrechts, R. Com bien and E. Deleersnijder. 2010. A finite-elem ent, m ulti-scale m odel o f the Scheldt trib u ta rie s, River, Estuary and ROFI. Coastal Engineering 57:850-863, doi: 10.1016 /j.c o a s ta le n g .2 010.04.001. de Brye B., A. de Brauwere, O. Gourgue, E.J.M. Delhez and E. Deleersnijder. 2012. Water renewal tim escales in the Scheldt Estuary. Journal o f Marine Systems 94:74-86, doi: 10.1016 /j.jm a rs y s .2011.10.013. Delhez E.J.M., B. De Brye, A. de Brauwere and E. Deleersnijder. (in review). Residence tim e vs influence tim e. Journal o f Marine Systems. Elskens M., O. Gourgue, W. Baeyens, L. Chou, E. D eleersnijder, M. Leermakers and A. de Brauwere. (in review). M odelling metal spéciation in the Scheldt Estuary: com bining a fle xib le -re so lu tio n tra n sp o rt m odel w ith em pirical fu nctio ns. Science o f the Total Environment. Gourgue O., W. Baeyens, M.S. Chen, A. de Brauwere, B. de Brye, E. Deleersnijder, M. Elskens and V. Legat, (in press). A depth-averaged tw o-dim ensional sedim ent tra n sp o rt m odel fo r environm ental studies in the Scheldt Estuary and tid al river network. Journal o f Marine Systems, doi: 10.1016 /j.jm a rsys. 201 2.05.004. Matton V. 2012, M odélisation de l'âge des bactéries Escherichia coli dans l'estuaire de l'Escaut, Master thesis, Université catholique de Louvain, Louvain-la-Neuve, Belgium. O uattara N.K., A. de Brauwere, G. Billen and P. Servais, (in press). M odelling faecal contam ination in the Scheldt drainage network. Journal o f Marine Systems, doi: 1 0.1016 /j.jm a rs y s .2012.05.004. - 14 -