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Records with Subject: Interdisciplinary
Showing records 1 to 25 of 79. [First] Page: 1 2 3 4 Last
Evaluation of Different Treatment Processes for Landfill Leachate Using Low-Cost Agro-Industrial Materials
Tawfiq J. H. Banch, Marlia M. Hanafiah, Abbas F. M. Alkarkhi, Salem S. A. Amr, Nurul U. M. Nizam
February 12, 2020 (v1)
Keywords: coagulation, heavy metals, landfill, leachate treatment, removal efficiency, tannin
Leachate is a complex liquid that is often produced from landfills, and it contains hazardous substances that may endanger the surrounding environment if ineffectively treated. In this work, four leachate treatment applications were examined: combined leachate/palm oil mill effluent (POME) (LP), leachate/tannin (LT), pre-(leachate/tannin) followed by post-(leachate/POME) (LT/LP), and pre-(leachate/POME) followed by post-(leachate/tannin) (LP/LT). The aim of this work is to evaluate and compare the performance of these treatment applications in terms of optimizing the physicochemical parameters and removing heavy metals from the leachate. The highest efficiency for the optimization of the most targeted physicochemical parameters and the removal of heavy metals was with the LP/LT process. The results are indicative of three clusters. The first cluster involves raw leachate (cluster 1), the second contains LP and LP/LT (cluster 2), and the third also consists of two treatment applications... [more]
Gas Capture Processes
Zhien Zhang, Tohid N. Borhani, Muftah H. El-Naas, Salman Masoudi Soltani, Yunfei Yan
February 12, 2020 (v1)
Keywords: capture, Carbon Dioxide, gas emission, global warming
The increasing trends in gas emissions have had direct adverse impacts on human health and ecological habitats in the world. A variety of technologies have been deployed to mitigate the release of such gases, including CO2, CO, SO2, H2S, NOx and H2. This special issue on gas-capture processes collects 25 review and research papers on the applications of novel techniques, processes, and theories in gas capture and removal.
Model-Based Tools for Pharmaceutical Manufacturing Processes
René Schenkendorf, Dimitrios I. Gerogiorgis, Seyed Soheil Mansouri, Krist V. Gernaey
February 12, 2020 (v1)
Active pharmaceutical ingredients (APIs) are highly valuable, highly sensitive products resulting from production processes with strict quality control specifications and regulations that are required for the safety of patients [...]
Bio-Resin Production through Ethylene Unsaturated Carbon Using Vegetable Oils
Farah Ezzah A. Latif, Zurina Zainal Abidin, Francisco Cardona, Dayang R. Awang Biak, Khalina Abdan, Paridah Mohd Tahir, Liew Kan Ern
February 12, 2020 (v1)
Keywords: bio-fuel, bio-products, bio-resins, epoxidation, epoxy, vegetable oil
Bio-resins are bio-based materials derived from vegetable resources, especially from vegetable seed oils. It is widely known that bio-resources are renewable, highly available, and sustainable. Resins and most polymers are largely derived from petroleum-based sources that are known to pose chemical risks. Resins have practical applications in printing inks, plasticisers and diluents, as well as in coating materials. Vegetable oils possess a large number of oxirane groups, which are essential for epoxidation to occur, resulting in the production of bio-resins. This undeniably serves as a promising candidate for competing with fossil-fuel-derived petroleum-based products. Thus, the aim of this review paper is to highlight aspects related to the production of bio-resins, including the chemical route of vegetable oil epoxidation process and its influencing factors, the reaction kinetics, bio-resins and the physico-chemical and mechanical properties of bio-resins, along with their applicati... [more]
A Novel Concept for Three-Phase Cascaded Multilevel Inverter Topologies
Md Mubashwar Hasan, A. Abu-Siada, Syed M. Islam, S. M. Muyeen
January 23, 2020 (v1)
Keywords: cascaded inverter, conventional three-phase inverter, device counts reduction, multilevel inverters
One of the key challenges in multilevel inverters (MLIs) design is to reduce the number of components used in the implementation while maximising the number of output voltage levels. This paper proposes a new concept that facilitates a device count reduction technique of existing cascaded MLIs. Moreover, the proposed concept can be utilised to extend existing single phase cascaded MLI topologies to three-phase structure without tripling the number of semiconductor components and input dc-supplies as per the current practice. The new generalized concept involves two stages; namely, cascaded stage and phase generator stage. The phase generator stage is a combination of a conventional three-phase two level inverter and three bi-directional switches while the cascaded stage can employ any existing cascaded topology. A laboratory prototype model is built and extensive experimental analyses are conducted to validate the feasibility of the proposed cascaded MLI concept.
Characterizing a Newly Designed Steel-Wool-Based Household Filter for Safe Drinking Water Provision: Hydraulic Conductivity and Efficiency for Pathogen Removal
Raoul Tepong-Tsindé, Arnaud Igor Ndé-Tchoupé, Chicgoua Noubactep, Achille Nassi, Hans Ruppert
January 19, 2020 (v1)
Keywords: biosand filter, household filter, pathogen removal, permeability loss, zero-valent iron
This study characterizes the decrease of the hydraulic conductivity (permeability loss) of a metallic iron-based household water filter (Fe0 filter) for a duration of 12 months. A commercial steel wool (SW) is used as Fe0 source. The Fe0 unit containing 300 g of SW was sandwiched between two conventional biological sand filters (BSFs). The working solution was slightly turbid natural well water polluted with pathogens (total coliform = 1950 UFC mL−1) and contaminated with nitrate ([NO3−] = 24.0 mg L−1). The system was monitored twice per month for pH value, removal of nitrate, coliforms, and turbidity, the iron concentration, as well as the permeability loss. Results revealed a quantitative removal of coliform (>99%), nitrate (>99%) and turbidity (>96%). The whole column effluent depicted drinking water quality. The permeability loss after one year of operation was about 40%, and the filter was still producing 200 L of drinking water per day at a flow velocity of 12.5 L h−1. A progress... [more]
Plant and Biomass Extraction and Valorisation under Hydrodynamic Cavitation
Zhilin Wu, Daniele F. Ferreira, Daniele Crudo, Valentina Bosco, Livio Stevanato, Annalisa Costale, Giancarlo Cravotto
January 19, 2020 (v1)
Keywords: biomass treatment, hydrodynamic cavitation, plant extraction, Process Intensification, rotor/stator hydrodynamic rector
Hydrodynamic cavitation (HC) is a green technology that has been successfully used to intensify a number of process. The cavitation phenomenon is responsible for many effects, including improvements in mass transfer rates and effective cell-wall rupture, leading to matrix disintegration. HC is a promising strategy for extraction processes and provides the fast and efficient recovery of valuable compounds from plants and biomass with high quality. It is a simple method with high energy efficiency that shows great potential for large-scale operations. This review presents a general discussion of the mechanisms of HC, its advantages, different reactor configurations, its applications in the extraction of bioactive compounds from plants, lipids from algal biomass and delignification of lignocellulosic biomass, and a case study in which the HC extraction of basil leftovers is compared with that of other extraction methods.
Interception Characteristics and Pollution Mechanism of the Filter Medium in Polymer-Flooding Produced Water Filtration Process
Xingwang Wang, Xiaoxuan Xu, Wei Dang, Zhiwei Tang, Changchao Hu, Bei Wei
January 7, 2020 (v1)
Keywords: filter medium pollution, filtration, interception characteristics, polymer-flooding produced water
Polymer flooding enhances oil recovery, but during the application of this technology, it also creates a large amount of polymer-contained produced water that poses a threat to the environment. The current processing is mainly focused on being able to meet the re-injection requirements. However, many processes face the challenges of purifying effect, facilities pollution, and economical justification in the field practice. In the present work, to fully understand the structure and principle of the oil field filter tank, and based on geometric similarity and similar flow, a set of self-designed filtration simulation devices is used to study the treatment of polymer-contained produced water in order to facilitate the satisfaction of the water injection requirements for medium- and low-permeability reservoirs. The results show that, due to the existence of polymers in oil field produced water, a stable colloidal system is formed on the surface of the filter medium, which reduces the adsor... [more]
A Market-Based Analysis on the Main Characteristics of Gearboxes Used in Onshore Wind Turbines
Cristina Vázquez-Hernández, Javier Serrano-González, Gabriel Centeno
December 10, 2019 (v1)
Keywords: drive train, gearboxes, Renewable and Sustainable Energy, wind turbines
Even though wind energy is one of the most mature renewable technologies, it is in continuous development not only because of the trend towards larger wind turbines but also because of the development of new technological solutions. The gearbox is one of the components of the drive train in which the industry is concentrating more effort on research and development. Larger rotor blades lead to more demanding requirements for this component as a consequence of a higher mechanical torque and multiplication ratio (due to lower rotational speed of blades while the rotational speed on the generator side remains at similar values). In addition, operating conditions become increasingly demanding in terms of reliability, performance, and compactness. This paper analyses the different gearbox arrangements that are implemented by manufacturers of onshore wind turbines, as well as their market penetration (including different aspects that affect the design of the gearbox, such as drive train conf... [more]
A Computational Tool for Comparative Energy Cost Analysis of Multiple-Crop Production Systems
Efthymios Rodias, Remigio Berruto, Dionysis Bochtis, Patrizia Busato, Alessandro Sopegno
December 10, 2019 (v1)
Keywords: agriculture, efficiency of energy, energy balance, energy cost
Various crops can be considered as potential bioenergy and biofuel production feedstocks. The selection of the crops to be cultivated for that purpose is based on several factors. For an objective comparison between different crops, a common framework is required to assess their economic or energetic performance. In this paper, a computational tool for the energy cost evaluation of multiple-crop production systems is presented. All the in-field and transport operations are considered, providing a detailed analysis of the energy requirements of the components that contribute to the overall energy consumption. A demonstration scenario is also described. The scenario is based on three selected energy crops, namely Miscanthus, Arundo donax and Switchgrass. The tool can be used as a decision support system for the evaluation of different agronomical practices (such as fertilization and agrochemicals application), machinery systems, and management practices that can be applied in each one of... [more]
Experimental Study on Forced Convection Heat Transfer from Plate-Fin Heat Sinks with Partial Heating
Jae Jun Lee, Hyun Jung Kim, Dong-Kwon Kim
December 10, 2019 (v1)
Keywords: forced convection, partial heating, plate-fin heat sink
In this study, plate-fin heat sinks with partial heating under forced convection were experimentally investigated. The base temperature profiles of the plate-fin heat sinks were measured for various heating lengths, heating positions, flow rates, and channel widths. From the experimental data, the effects of heating length, heating position, and flow rate on the base temperature profile and the thermal performance were investigated. Finally, the characteristics of the optimal heating position were investigated. As a result, it was shown that the optimal heating position was on the upstream side in the case of the heat sinks under laminar developing flow, as opposed to the heat sinks under turbulent flow. It was also shown that the optimal heating position could change significantly due to heat losses through the front and back of the heat sink, while the effects of the heat loss through the sides of the heat sink on the optimal heating position were negligible. In addition, it was show... [more]
Reusing Cow Manure for the Production of Activated Carbon Using Potassium Hydroxide (KOH) Activation Process and Its Liquid-Phase Adsorption Performance
Wen-Tien Tsai, Po-Cheng Huang, Yu-Quan Lin
December 10, 2019 (v1)
Keywords: activated carbon, adsorption performance, cationic pollutant, chemical activation process, cow manure, pore property
In this work, cow manure (CM) was reused as a potential precursor in the production of activated carbon (AC) using a potassium hydroxide activation process at different temperatures (i.e., 500, 600 and 700 °C). The optimal activated carbon from cow manure (CM-AC) with high specific surface area (ca. 950 m2/g) was further investigated for its adsorption performance in the removal of a model compound (i.e., methylene blue) from aqueous solution with various initial concentrations and adsorbent dosages at 25 °C. It was found that the resulting AC could be an effective adsorbent for removal of cationic dye from aqueous solution in comparison with a commercial coal-based AC. Based on the observations of the energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy (FTIR), the CM-AC adsorbent has a stronger interaction with the cationic compound due to its more oxygen-containing complex on the surface. Furthermore, the adsorption kinetic parameters fitted using the pse... [more]
What Is the Right Innovation Type for Your Industry? Evidence from Chemical Firms in Korea
Jaeho Shin, Yeongjun Kim, Hongsuk Yang, Changhee Kim
December 3, 2019 (v1)
Keywords: chemical industry, data envelopment analysis, efficiency measurement, innovation efficiency, process innovation, product innovation
The literature has two different perspectives on which innovation types should be implemented to achieve innovation performance; some argue that they should pursue process-oriented innovation, while others maintain that both product- and process-oriented innovation should be performed. Though innovation efficiency should be measured, which takes both input and output variables into account, the research so far has been measured only with the performance of the innovation. Accordingly, this study identifies which innovation type is the most advantageous in terms of innovation efficiency for the chemical firms. We use data of 64 Korean chemical companies from a 2016 Korean innovation survey and perform data envelopment analysis to calculate innovation efficiency. Kruskal−Wallis one-way ANOVA and bootstrap DEA were also conducted to compare the difference of innovation efficiency among groups, depending on which innovation types are oriented. The result shows that focusing on process inno... [more]
Nanoemulsions: Factory for Food, Pharmaceutical and Cosmetics
Nor Azrini Nadiha Azmi, Amal A. M. Elgharbawy, Shiva Rezaei Motlagh, Nurhusna Samsudin, Hamzah Mohd. Salleh
November 24, 2019 (v1)
Keywords: cosmetics, homogenization, nanoemulsions (NEs), oil-in-water, pharmaceutical, ultrasonication
Nanotechnology, particularly nanoemulsions (NEs), have gained increasing interest from researchers throughout the years. The small-sized droplet with a high surface area makes NEs important in many industries. In this review article, the components, properties, formation, and applications are summarized. The advantages and disadvantages are also described in this article. The formation of the nanosized emulsion can be divided into two types: high and low energy methods. In high energy methods, high-pressure homogenization, microfluidization, and ultrasonic emulsification are described thoroughly. Spontaneous emulsification, phase inversion temperature (PIT), phase inversion composition (PIC), and the less known D-phase emulsification (DPE) methods are emphasized in low energy methods. The applications of NEs are described in three main areas which are food, cosmetics, and drug delivery.
Towards the Grand Unification of Process Design, Scheduling, and Control—Utopia or Reality?
Baris Burnak, Nikolaos A. Diangelakis, Efstratios N. Pistikopoulos
September 23, 2019 (v1)
Keywords: integration, process control, process design, Scheduling
As a founder of the Process Systems Engineering (PSE) discipline, Professor Roger W.H. Sargent had set ambitious goals for a systematic new generation of a process design paradigm based on optimization techniques with the consideration of future uncertainties and operational decisions. In this paper, we present a historical perspective on the milestones in model-based design optimization techniques and the developed tools to solve the resulting complex problems. We examine the progress spanning more than five decades, from the early flexibility analysis and optimal process design under uncertainty to more recent developments on the simultaneous consideration of process design, scheduling, and control. This formidable target towards the grand unification poses unique challenges due to multiple time scales and conflicting objectives. Here, we review the recent progress and propose future research directions.
Adsorptive Removal of Pyridine in Simulation Wastewater Using Coke Powder
Qieyuan Gao, Lei Wang, Zhipeng Li, Yaqi Xie, Qiongqiong He, Yongtian Wang
September 23, 2019 (v1)
Keywords: adsorbent, adsorption thermodynamics, coke powder, pyridine
Pyridine is a toxic component in industrial wastewater, which is difficult to remove using conventional methods. In this study, the cost-effective coke powder was used to remove pyridine from a pyridine simulation wastewater. The removal efficiency and adsorption capacity of pyridine reached up to 67.32% and 0.4488 mg/g, respectively, at a coke powder concentration of 60 mg/L and an adsorption time of 30 min. The pyridine removal efficiency and adsorption capacity of coke powder reached saturation when the initial concentration was 40 mg/L. The pH of 2−12 in the solution was found to have little effect on the pyridine adsorption process of coke powder, while the coke powder with lower ash content was of better adsorbability for pyridine. The coke powder was regenerated by heat treatment, and reused for pyridine adsorption. It was found that the pyridine removal efficiency slightly decreased after nine times of reuse, in addition to a small cumulative weight loss rate of coke powder. Ad... [more]
Selective Cesium Adsorptive Removal on Using Crosslinked Tea Leaves
Dan Yu, Shintaro Morisada, Hidetaka Kawakita, Keisuke Ohto, Katsutoshi Inoue, Ximing Song, Guolin Zhang
September 13, 2019 (v1)
Keywords: adsorptive removal, biomass wastes, cesium selectivity, ion-exchange
To remove the radioactive cesium from the polluted environment, tea leaves were chosen as cheap, and abundantly available environment-friendly bio-adsorbents to investigate the alkali metals adsorption. Fresh and used tea leaves (FT and UT) were found to have high efficiency and selectivity for cesium adsorption, after the crosslinking with concentrated sulfuric acid. Calculation of the proton-exchanged amount suggested adsorption mechanism of three alkali metals on crosslinked tea leaves involve a cationic exchange with a proton from the hydroxyl groups of the crosslinked tea leaves, as well as coordination with ethereal oxygen atoms to form the chelation. Further, considering the practical application of the polluted water treatment, the competitive adsorption of Cs+ and Na+ ions was investigated by the batch-wise method and column chromatography separation. Unlike the conventional ion exchange and chelate resins with less selectivity for Cs+ coexisting cations, both crosslinked fres... [more]
Coffee Pulp: A Sustainable Alternative Removal of Cr (VI) in Wastewaters
Dora Luz Gómez Aguilar, Juan Pablo Rodríguez Miranda, Javier Andrés Esteban Muñoz, Jhon Fredy Betancur P.
September 5, 2019 (v1)
Keywords: agricultural residues, coffee pulp (CP), heavy metals, hexavalent chromium, industrial wastewater (IWW), plantain pseudo stem (PP), Sustainable Development Goals (SDG)
Currently, agricultural waste is proposed as a sustainable alternative in the removal of heavy metals present in industrial wastewater, to fulfill some of the goals proposed in the Sustainable Development Goals stated for the 2030 Agenda, in particular in Sections 3.9 and 6.9. Considering this context, the coffee pulp (Castilla variety) of Caldas municipality (Colombia) was used in study for the removal of one of the most toxic chemical species of chromium: Cr (VI). Therefore, the agricultural residue was subjected to a bromatological characterization, determination of the lignocellulosic composition and elucidation of characteristic organic functional groups by IR spectrophotometry. Additionally, the optimal parameters for contaminant removal were identified, regarding particle size, biomass quantity, optimum pH, stirring time, temperature, adsorption kinetics, zero charge potential (pHpzc) and adsorption isotherms, to analyze the kinetic model that fitted the process, the explanation... [more]
Advances in Energy Systems Engineering and Process Systems Engineering in China—A Review Starting from Sargent’s Pioneering Work
Wenhan Qian, Pei Liu, Zheng Li
August 8, 2019 (v1)
Keywords: energy systems engineering, nonlinear programming, Optimization, process design, process systems engineering
Process systems engineering (PSE), after being proposed by Sargent and contemporary researchers, has been fast developing in various domains and research communities around the world in the last couple of decades, with energy systems engineering featuring a typical yet still fast propagating domain, and the Chinese PSE community featuring a typical community with its own unique challenges for applying PSE theory and methods. In this paper, development of energy systems engineering and process systems engineering in China is discussed, and Sargent’s impacts on these two fields are the main focus. Pioneering work conducted by Sargent is firstly discussed. Then, a venation on how his work and thoughts have motivated later researchers and led to progressive advances is reviewed and analyzed. It shows that Sargent’s idea of optimum design and his work on nonlinear programming and superstructure modelling have resulted in well-known methods that are widely adopted in energy systems engineeri... [more]
Artificial Neural Networks Approach for a Multi-Objective Cavitation Optimization Design in a Double-Suction Centrifugal Pump
Wenjie Wang, Majeed Koranteng Osman, Ji Pei, Xingcheng Gan, Tingyun Yin
July 28, 2019 (v1)
Keywords: artificial neural network, cavitation optimization, Computational Fluid Dynamics, multi-objective optimization, NPSHr prediction
Double-suction centrifugal pumps are widely used in industrial and agricultural applications since their flow rate is twice that of single-suction pumps with the same impeller diameter. They usually run for longer, which makes them susceptible to cavitation, putting the downstream components at risk. A fast approach to predicting the Net Positive Suction Head required was applied to perform a multi-objective optimization on the double-suction centrifugal pump. An L32 (84) orthogonal array was designed to evaluate 8 geometrical parameters at 4 levels each. A two-layer feedforward neural network and genetic algorithm was applied to solve the multi-objective problem into pareto solutions. The results were validated by numerical simulation and compared to the original design. The suction performance was improved by 7.26%, 3.9%, 4.5% and 3.8% at flow conditions 0.6Qd, 0.8Qd, 1.0Qd and 1.2Qd respectively. The efficiency increased by 1.53% 1.0Qd and 1.1% at 0.8Qd. The streamline on the blade... [more]
Hybrid Modulation of Bidirectional Three-Phase Dual-Active-Bridge DC Converters for Electric Vehicles
Yen-Ching Wang, Fu-Ming Ni, Tzung-Lin Lee
July 25, 2019 (v1)
Keywords: DAB, EV charger, LiFePO4 battery
Bidirectional power converters for electric vehicles (EVs) have received much attention recently, due to either grid-supporting requirements or emergent power supplies. This paper proposes a hybrid modulation of the three-phase dual-active bridge (3ΦDAB) converter for EV charging systems. The designed hybrid modulation allows the converter to switch its modulation between phase-shifted and trapezoidal modes to increase the conversion efficiency, even under light-load conditions. The mode transition is realized in a real-time manner according to the charging or discharging current. The operation principle of the converter is analyzed in different modes and thus design considerations of the modulation are derived. A lab-scaled prototype circuit with a 48V/20Ah LiFePO₄ battery is established to validate the feasibility and effectiveness.
Some Advances in Supercritical Fluid Extraction for Fuels, Bio-Materials and Purification
Yizhak Marcus
July 25, 2019 (v1)
Keywords: Biomass, contaminant removal, drug particles, fuels, supercritical carbon dioxide, supercritical ethanol, supercritical methanol, supercritical water
Supercritical fluids are used for the extraction of desired ingredients from natural materials, but also for the removal of undesired and harmful ingredients. In this paper, the pertinent physical and chemical properties of supercritical water, methanol, ethanol, carbon dioxide, and their mixtures are provided. The methodologies used with supercritical fluid extraction are briefly dealt with. Advances in the application of supercritical extraction to fuels, the gaining of antioxidants and other useful items from biomass, the removal of undesired ingredients or contaminants, and the preparation of nanosized particles of drugs are described.
On the Use of Starch in Emulsion Polymerizations
Shidan Cummings, Yujie Zhang, Niels Smeets, Michael Cunningham, Marc A. Dubé
July 17, 2019 (v1)
Keywords: emulsion, graft, polymerization, polysaccharide, Starch
The substitution of petroleum-based synthetic polymers in latex formulations with sustainable and/or bio-based sources has increasingly been a focus of both academic and industrial research. Emulsion polymerization already provides a more sustainable way to produce polymers for coatings and adhesives, because it is a water-based process. It can be made even more attractive as a green alternative with the addition of starch, a renewable material that has proven to be extremely useful as a filler, stabilizer, property modifier and macromer. This work provides a critical review of attempts to modify and incorporate various types of starch in emulsion polymerizations. This review focusses on the method of initiation, grafting mechanisms, starch feeding strategies and the characterization methods. It provides a needed guide for those looking to modify starch in an emulsion polymerization to achieve a target grafting performance or to incorporate starch in latex formulations for the replacem... [more]
Response Surface Method in the Optimization of a Rotary Pan-Equipped process for Increased Efficiency of Slow-Release Coated Urea
Farahnaz Eghbali Babadi, Robiah Yunus, Ali Abbasi, Salman Masoudi Soltani
July 5, 2019 (v1)
Keywords: coated urea, design of experiments, process optimisation, slow-release urea
The high solubility of urea in water and its consequent leaching into the soil adversely prevents its full assimilation by plants. An improved slow-release process could effectively minimise the loss of fertilizer material and thus mitigate the associated environmental pollution. In this study, the effects of the operational variables on the efficiency of the urea coating process in a rotary pan have been systematically analysed. A mixture of gypsum-sulphur was used as the coating material with refined water as a binder. In order to comprehensively investigate the impact of each process variable on the efficiency and any potential interactions between them, the effects of particle size, coating material percentage, rotational speed of the pan, spray flow rate and the amount of sprayed water were investigated and analysed via a central composite design of experiments (DoE). The second-order polynomial model provided the best correlation for the experimental data. The predictive model wa... [more]
Data Science-Enabled Molecular-to-Systems Engineering for Sustainable Water Treatment
Elvis Eugene, William Phillip, Alexander Dowling
October 11, 2019 (v3)
Keywords: Bayesian optimization, design of experiments, fit-for-purpose water, inverse materials design, materials informatics, superstructure optimization, uncertainty quantification
Growing social and economic pressures demand technological innovations that enable the widespread usage of unconventional sources of water. These challenges motivate the emerging fit-for-purpose paradigm, wherein water is provided at the precise quality level of the intended application. Unfortunately, to date, fundamental advances in materials and nanotechnology have been slow to advance this paradigm. Using examples from membrane science and engineering, we highlight the critical need to bridge research at the molecular and nano-scales with development at the device and systems-scales to fully realize sustainable fit-for-purpose water technology. Specifically, we present four opportunities for computing and data science to accelerate convergence of sustainable water research: materials informatics and inverse design, model-based design of experiments, superstructure optimization, and uncertainty quantification. As such, we highlight opportunities to collaboratively revolutionize mole... [more]
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