Water and wastewater CFD and validation: are we losing the balance?

A literature screening on computational fluid dynamics (CFD) modelling in water treatment applications showed a vast range of validation ranging from no validation at all, over residence time distribution (RTD) and tracer testing, to velocity field, species concentration and, finally, turbulence properties measurements. The validation level also differs depending on process scale (laboratory, pilot, full) and type of system (rheology, single phase vs. multiphase). Given the fact that CFD is in more widespread use, a discussion on the extent and need of validation needs to be initiated. This paper serves as a discussion starter on the topic.

CFD-based process optimization of a dissolved air flotation system for drinking water production.

Dissolved air flotation (DAF) has received more attention recently as a separation technique in both drinking water as well as wastewater treatment. However, the process as well as the preceding flocculation step is complex and not completely understood. Given the multiphase nature of the process, fluid dynamics studies are important to understand and optimize the DAF system in terms of operation and design. The present study is intended towards a comprehensive computational analysis for design optimization of the treatment plant in Kluizen, Belgium. Setting up the modelling framework involving the multiphase flow problem is briefly discussed. 3D numerical simulations on a scaled down model of the DAF design were analysed. The flow features give better confidence, but the flocs escape through the outlet still prevails which is averse to the system performance. In order to improve the performance and ease of maintenance, design modifications have been proposed by using a perforated tube for water extraction and are found to be satisfactory. The discussion is further reinforced through validating the numerical model against the experimental findings for stratified flow conditions.

A realistic dynamic blower energy consumption model for wastewater applications.

At wastewater treatment plants (WWTPs) aeration is the largest energy consumer. This high energy consumption requires an accurate assessment in view of plant optimization. Despite the ever increasing detail in process models, models for energy production still lack detail to enable a global optimization of WWTPs. A new dynamic model for a more accurate prediction of aeration energy costs in activated sludge systems, equipped with submerged air distributing diffusers (producing coarse or fine bubbles) connected via piping to blowers, has been developed and demonstrated. This paper addresses the model structure, its calibration and application to the WWTP of Mekolalde (Spain). The new model proved to give an accurate prediction of the real energy consumption by the blowers and captures the trends better than the constant average power consumption models currently being used. This enhanced prediction of energy peak demand, which dominates the price setting of energy, illustrates that the dynamic model is preferably used in multi-criteria optimization exercises for minimizing the energy consumption.

Detailed off-gas measurements for improved modelling of the aeration performance at the WWTP of Eindhoven.

At wastewater treatment plants (WWTPs), the aerobic conversion processes in the bioreactor are driven by the presence of dissolved oxygen (DO). Within these conversion processes, the oxygen transfer is a rate limiting step as well as being the largest energy consumer. Despite this high importance, WWTP models often lack detail on the aeration part. An extensive measurement campaign with off-gas tests was performed at the WWTP of Eindhoven to provide more information on the performance and behaviour of the aeration system. A high spatial and temporal variability in the oxygen transfer efficiency was observed. Applying this gathered system knowledge in the aeration model resulted in an improved prediction of the DO concentrations. Moreover, an important consequence of this was that ammonium predictions could be improved by resetting the ammonium half-saturation index for autotrophs to its default value. This again proves the importance of balancing sub-models with respect to the need for model calibration as well as model predictive power.

Energy efficient treatment of A-stage effluent: pilot-scale experiences with shortcut nitrogen removal.

Energy autarky of sewage treatment plants, while reaching chemical oxygen demand (COD) and N discharge limits, can be achieved by means of shortcut N-removal. This study presents the results of a shortcut N-removal pilot, located at the biological two-'stage (high/low rate) wastewater treatment plant of Breda, The Netherlands. The pilot treated real effluent of a high-rate activated sludge (COD/N = 3), fed in a continuous mode at realistic loading rates (90-100 g N/(m(3)·d)). The operational strategy, which included increased stress on the sludge settling velocity, showed development of a semi-granular sludge, with average particle size of 280 µm (ø(4,3)), resulting in increased suppression of nitrite-oxidizing bacteria. The process was able to remove part of the nitrogen (51 ± 23%) over nitrite, with COD/N removal ratios of 3.2 ± 0.9. The latter are lower than the current operation of the full-scale B-stage in Breda (6.8-9.4), showing promising results for carbon-efficient N-removal, while producing a well settling sludge (SVI(30) < 100 mL/g).

CFD for wastewater treatment: an overview.

Computational fluid dynamics (CFD) is a rapidly emerging field in wastewater treatment (WWT), with application to almost all unit processes. This paper provides an overview of CFD applied to a wide range of unit processes in water and WWT from hydraulic elements like flow splitting to physical, chemical and biological processes like suspended growth nutrient removal and anaerobic digestion. The paper's focus is on articulating the state of practice and research and development needs. The level of CFD's capability varies between different process units, with a high frequency of application in the areas of final sedimentation, activated sludge basin modelling and disinfection, and greater needs in primary sedimentation and anaerobic digestion. While approaches are comprehensive, generally capable of incorporating non-Newtonian fluids, multiphase systems and biokinetics, they are not broad, and further work should be done to address the diversity of process designs. Many units have not been addressed to date. Further needs are identified throughout, but common requirements include improved particle aggregation and breakup (flocculation), and improved coupling of biology and hydraulics.

Impact on sludge inventory and control strategies using the benchmark simulation model no. 1 with the Bürger-Diehl settler model.

An improved one-dimensional (1-D) model for the secondary clarifier, i.e. the Bürger-Diehl model, was recently presented. The decisive difference to traditional layer models is that every detail of the implementation is in accordance with the theory of partial differential equations. The Bürger-Diehl model allows accounting for hindered and compressive settling as well as inlet dispersion. In this contribution, the impact of specific features of the Bürger-Diehl model on settler underflow concentration predictions, plant sludge inventory and mixed liquor suspended solids based control actions are investigated by using the benchmark simulation model no. 1. The numerical results show that the Bürger-Diehl model allows for more realistic predictions of the underflow sludge concentration, which is essential for more accurate wet weather modelling and sludge waste predictions. The choice of secondary settler model clearly has a profound impact on the operation and control of the entire treatment plant and it is recommended to use the Bürger-Diehl model as of now in any wastewater treatment plant modelling effort.

Effect of sensor location on controller performance in a wastewater treatment plant.

Complete mixing is hard to achieve in large bioreactors in wastewater treatment plants. This often leads to a non-uniform distribution of components such as dissolved oxygen and, hence, the process rates depend on them. Furthermore, when these components are used as input for a controller, the location of the sensor can potentially affect the control action. In this contribution, the effect of sensor location and the choice of setpoint on the controller performance were examined for a non-homogeneously mixed pilot bioreactor described by a compartmental model. The impacts on effluent quality and aeration cost were evaluated. It was shown that a dissolved oxygen controller with a fixed setpoint performs differently as a function of the location of the sensor. When placed in a poorly mixed location, the controller increases the aeration intensity to its maximum capacity leading to higher aeration costs. When placed just above the aerated zone, the controller decreases the aeration rate resulting in lower dissolved oxygen concentrations in the remainder of the system, compromising effluent quality. In addition to the location of the sensor, the selection of an appropriate setpoint also impacts controller behavior. This suggests that mixing behavior of bioreactors should be better quantified for proper sensor location and controller design.

A protocol for the use of computational fluid dynamics as a supportive tool for wastewater treatment plant modelling.

To date, computational fluid dynamics (CFD) models have been primarily used for evaluation of hydraulic problems at wastewater treatment plants (WWTPs). A potentially more powerful use, however, is to simulate integrated physical, chemical and/or biological processes involved in WWTP unit processes on a spatial scale and to use the gathered knowledge to accelerate improvement in plant models for everyday use, that is, design and optimized operation. Evolving improvements in computer speed and memory and improved software for implementing CFD, as well as for integrated processes, has allowed for broader usage of this tool for understanding, troubleshooting, and optimal design of WWTP unit processes. This paper proposes a protocol for an alternative use of CFD in process modelling, as a way to gain insight into complex systems leading to improved modelling approaches used in combination with the IWA activated sludge models and other kinetic models.

Add Control: plant virtualization for control solutions in WWTP.

This paper summarizes part of the research work carried out in the Add Control project, which proposes an extension of the wastewater treatment plant (WWTP) models and modelling architectures used in traditional WWTP simulation tools, addressing, in addition to the classical mass transformations (transport, physico-chemical phenomena, biological reactions), all the instrumentation, actuation and automation & control components (sensors, actuators, controllers), considering their real behaviour (signal delays, noise, failures and power consumption of actuators). Its ultimate objective is to allow a rapid transition from the simulation of the control strategy to its implementation at full-scale plants. Thus, this paper presents the application of the Add Control simulation platform for the design and implementation of new control strategies at the WWTP of Mekolalde.

Benchmark simulation models, quo vadis?

As the work of the IWA Task Group on Benchmarking of Control Strategies for wastewater treatment plants (WWTPs) is coming to an end, it is essential to disseminate the knowledge gained. For this reason, all authors of the IWA Scientific and Technical Report on benchmarking have come together to provide their insights, highlighting areas where knowledge may still be deficient and where new opportunities are emerging, and to propose potential avenues for future development and application of the general benchmarking framework and its associated tools. The paper focuses on the topics of temporal and spatial extension, process modifications within the WWTP, the realism of models, control strategy extensions and the potential for new evaluation tools within the existing benchmark system. We find that there are major opportunities for application within all of these areas, either from existing work already being done within the context of the benchmarking simulation models (BSMs) or applicable work in the wider literature. Of key importance is increasing capability, usability and transparency of the BSM package while avoiding unnecessary complexity.

Elucidation of the powder flow pattern in a twin-screw LIW-feeder for various refill regimes.

The importance of residence time distribution modeling is acknowledged as a tool for enabling material tracking and control within a continuous manufacturing line in order to safeguard both product quality and production efficiency. One of the first unit-operations into a continuous direct compression line (i.e. CDC-line) worthwhile doing extensive RTD-analysis upon are the LIW-feeders since they dose the ingredients in a controlled way following the label claim and hence can directly influence critical quality attributes like content uniformity. An NIR measurement method was developed determining the RTD of selected powders at specific feeder settings. Step-change experiments using sodium saccharin as a tracer were conducted. In order to gain and in depth understanding of the material flow, spatial samples throughout the hopper were taken at predefined timepoints during the step change experiments. This revealed the presence of a bypass trajectory along the edges of the agitator, while in the center of the agitator an inner mixing volume in which the tracer concentration lags behind seemed to be present. Finally, a model based on a plug flow and continuous stirred tank reactor was evaluated. The fitted model was not able to capture this complex flow behavior and shows the need for an extended compartmental model distinguishing between a bypass trajectory formed by the agitator and an inner mixing volume.

Towards mechanistic models for activated sludge flocculation under different conditions based on inverse problems.

Experimental data of Ca-induced activated sludge flocculation under different conditions of temperature and dissolved oxygen are investigated in order to model the influence of changing physical and chemical factors. However, current kernel structures for collision frequency and efficiency are unable to describe activated sludge flocculation data. Therefore, an earlier developed methodology based on an inverse problem is applied, yielding empirical models, to find out how flocculation is affected by these different environmental conditions. This contribution shows the useful application of inverse problems to improve the understanding of complex aggregation mechanisms.

Towards a benchmarking tool for minimizing wastewater utility greenhouse gas footprints.

A benchmark simulation model, which includes a wastewater treatment plant (WWTP)-wide model and a rising main sewer model, is proposed for testing mitigation strategies to reduce the system's greenhouse gas (GHG) emissions. The sewer model was run to predict methane emissions, and its output was used as the WWTP model input. An activated sludge model for GHG (ASMG) was used to describe nitrous oxide (N(2)O) generation and release in activated sludge process. N(2)O production through both heterotrophic and autotrophic pathways was included. Other GHG emissions were estimated using empirical relationships. Different scenarios were evaluated comparing GHG emissions, effluent quality and energy consumption. Aeration control played a clear role in N(2)O emissions, through concentrations and distributions of dissolved oxygen (DO) along the length of the bioreactor. The average value of N(2)O emission under dynamic influent cannot be simulated by a steady-state model subjected to a similar influent quality, stressing the importance of dynamic simulation and control. As the GHG models have yet to be validated, these results carry a degree of uncertainty; however, they fulfilled the objective of this study, i.e. to demonstrate the potential of a dynamic system-wide modelling and benchmarking approach for balancing water quality, operational costs and GHG emissions.

Analysis of shear stress and energy consumption in a tubular airlift membrane system.

Application of a two-phase slug flow in side-stream membrane bioreactors (MBRs) has proven to increase the permeate flux and decrease fouling through a better control of the cake layer. Past literature has shown that the hydrodynamics near the membrane surface have an impact on the degree of fouling by imposing high shear stress near the surface of the membrane. Previously, shear stress histograms (SSH) have been introduced to summarize results from an experimental setup developed to investigate the shear stress imposed on the surface of a membrane under different two-phase flow conditions (gas and liquid) by varying the flow of each phase. Bimodal SSHs were observed, with peaks corresponding to the shear induced by the liquid and gas flow respectively. In this contribution, SSHs are modelled using simple empirical relationships. These are used to identify the two-phase flow conditions that optimize fouling control. Furthermore, the total energy consumption of the system was estimated based on the two-phase pressure drop. It was found that low liquid and high gas flow rates (ratio of approx. 4) balanced the peaks and minimized the energy consumption.

TPLS as predictive platform for twin-screw wet granulation process and formulation development.

In recent years, the interest in continuous manufacturing techniques, such as twin-screw wet granulation, has increased. However, the understanding of the influence of the combination of raw material properties and process settings upon the granule quality attributes is still limited. In this study, a T-shaped partial least squares (TPLS) model was developed to link raw material properties, the ratios in which these raw materials were combined and the applied process parameters for the twin-screw wet granulation process with the granule quality attributes. In addition, the predictive ability of the TPLS model was used to find a suitable combination of formulation composition and twin-screw granulation process settings for a new API leading to desired granule quality attributes. Overall, this study helped to better understand the link between raw material properties, formulation composition and process settings on granule quality attributes. Moreover, as TPLS can provide a reasonable starting point for formulation and process development for new APIs, it can reduce the experimental development efforts and consequently the consumption of expensive (and often limited available) new API.

Investigation of the effect of viscosity on slug flow in airlift tubular membranes in search of a sludge surrogate.

The behaviour of three different liquid-gas slug flows (water, carboxymethyl cellulose and activated sludge) in a vertical tube was studied using a high speed camera (HSC). Experiments were performed using different flow rates and two tube diameters (6.3 and 9.9 mm). The observed difference in behaviour of the ascending gas slugs can be explained by the difference in viscosity of the fluids (Newtonian and non-Newtonian). Moreover, it was observed that the degree of coalescence of gas slugs is lower for non-Newtonian liquids and they behave like a succession of slugs without actually coalescing into a single larger gas slug. Finally, gas slug rising velocities were also extracted, but no subsequent difference in the rising velocities of the different fluids was found.

Combining multimedia models with integrated urban water system models for micropollutants.

Integrated urban water system (IUWS) modeling aims at assessing the quality of the surface water receiving the urban emissions through sewage treatment plants, combined sewer overflows (CSOs) and stormwater drainage systems. However, some micropollutants tend to appear in more than one environmental medium (air, water, sediment, soil, groundwater, etc.). In this work, a multimedia fate and transport model (MFTM) is "wrapped around" a dynamic IUWS model for organic micropollutants to enable integrated environmental assessment. The combined model was tested on a hypothetical catchment using two scenarios: on the one hand a reference scenario with a combined sewerage system and on the other hand a stormwater infiltration pond scenario, as an example of a sustainable urban drainage system (SUDS). A case for Bis(2-ethylhexyl) phthalate (DEHP) was simulated and resulted in reduced surface water concentrations for the latter scenario. However, the model also showed that this was at the expense of increased fluxes to air, groundwater and infiltration pond soil. The latter effects are generally not included in IUWS models, whereas MTFMs usually do not consider dynamic surface water concentrations,; hence the combined model approach provides a better basis for integrated environmental assessment of micropollutants' fate in urban environments.

Benchmark Simulation Model No 2: finalisation of plant layout and default control strategy.

The COST/IWA Benchmark Simulation Model No 1 (BSM1) has been available for almost a decade. Its primary purpose has been to create a platform for control strategy benchmarking of activated sludge processes. The fact that the research work related to the benchmark simulation models has resulted in more than 300 publications worldwide demonstrates the interest in and need of such tools within the research community. Recent efforts within the IWA Task Group on "Benchmarking of control strategies for WWTPs" have focused on an extension of the benchmark simulation model. This extension aims at facilitating control strategy development and performance evaluation at a plant-wide level and, consequently, includes both pretreatment of wastewater as well as the processes describing sludge treatment. The motivation for the extension is the increasing interest and need to operate and control wastewater treatment systems not only at an individual process level but also on a plant-wide basis. To facilitate the changes, the evaluation period has been extended to one year. A prolonged evaluation period allows for long-term control strategies to be assessed and enables the use of control handles that cannot be evaluated in a realistic fashion in the one week BSM1 evaluation period. In this paper, the finalised plant layout is summarised and, as was done for BSM1, a default control strategy is proposed. A demonstration of how BSM2 can be used to evaluate control strategies is also given.

In-line temperature measurement to improve the understanding of the wetting phase in twin-screw wet granulation and its use in process development.

Wetting is the initial stage of wet granulation processes during which the first contact between the powder and the liquid occurs. Wetting is a critical step to allow granule growth and consolidation, but also to ensure uniform active pharmaceutical ingredient (API) distribution over all granule size fractions. A physical understanding of the wetting stage is therefore crucial to design a robust granulation process. In twin-screw granulation, wetting is physically separated from granule consolidation, growth, breakage and attrition. The present study used this particularity to investigate the wetting step in such a way that the fundamental mechanisms governing the wetting can be linked and understood. A modified granulator barrel was used allowing the collection of granules immediately after the wetting. A low drug-loaded pharmaceutical formulation containing a poorly soluble and poorly wettable API was used for this investigation. Granules obtained after the wetting zone were analysed for granule size distribution, API distribution over the different size fractions and granule temperature. It was found that "wetting efficiency" (i.e., fraction of powder being nucleated during the wetting stage) could be predicted using an energy balance based on in-line measurement of the granule temperature. Wetting efficiency could moreover be linked to final granule quality attributes (i.e., granule size distribution) at the outlet of the granulator. It was further demonstrated that granule growth and consolidation could only be achieved when complete wetting was achieved in the wetting zone of the granulator. This study suggested a methodology based on in-line temperature measurements to quickly determine wetting efficiency. The described methodology could therefore be used as a tool to gain more fundamental understanding of the wetting stage during twin-screw granulation as well as to define suitable formulation and process ranges for further granulation process development.