Emerging investigators series: a steric pore-flow model to predict the transport of small and uncharged solutes through a reverse osmosis membrane

Takeuchi, Haruka; Tanaka, Hiroaki; Nghiem, Long D.; Fujioka, Takahiro

doi:10.1039/c7ew00194k

Cited by 5 publications

(5 citation statements)

References 44 publications

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“…To compare the rejection of small neutral molecules, the molecular radius of NDEA, NDPA, and NDBA was compared with the changes in pore size distribution ( Table 1 ). According to the literature, NDEA, NDPA, and NDBA have radii of 0.278, 0.295, and 0.302 nm, respectively [ 36 ].…”

Section: Resultsmentioning

confidence: 99%

Impact of Polymer Chain Rearrangements in the PA Structure of RO Membranes on Water Permeability and N-Nitrosamine Rejection

Morović,

Vezjak Fluksi,

Babić

et al. 2023

Molecules

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The use of solvents is overall recognized as an efficient method to improve the water permeability of polyamide thin film composite membranes (PA-TFC). The objective of this work was to test the performance of the membranes after exposing them to n-propanol (n-PrOH) to improve the permeability of the membranes while maintaining the rejection factor for small uncharged organic molecules, namely N-nitrosamines (NTRs). After the membranes were exposed to n-PrOH, the water permeability of the UTC73AC membrane increased by 98%, with minimal change in rejection. N-nitrosodiethylamine (NDEA) rejection decreased (3.4%), while N-nitrosodi-n-propylamine (NDPA) and N-nitrosodi-n-butylamine (NDBA) rejection increased by 0.9% and 2.8%, respectively. In contrast, for the BW30LE membrane, water permeability decreased (by 38.7%), while rejection factors increased by 14.5% for NDEA, 6.2% for NDPA, and 15.0% for NDBA. In addition, the morphology of the membrane surface before and after exposure to n-PrOH was analyzed. This result and the pore size distribution (PSD) curves obtained indicate that the rearrangement of polymer chains affects the network or aggregate pores in the PA layer, implying that a change in pore size or a change in pore size distribution could improve the permeability of water molecules, while the rejection factor for NTRs is not significantly affected.

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Section: Resultsmentioning

confidence: 99%

Impact of Polymer Chain Rearrangements in the PA Structure of RO Membranes on Water Permeability and N-Nitrosamine Rejection

Morović,

Vezjak Fluksi,

Babić

et al. 2023

Molecules

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“…The calibrated k Organic values for the expanded GCM were then used to predict the rejection of a small set of organics through another membrane and under different experimental conditions. Rejection data were collected for four N-nitrosamines through BW30XLFRE membrane 56 and four haloalkanes through ESPA2-LD 57 (Table S8 in the SI). The rejection was predicted for various N-nitrosamines using the k Organic values determined by the expanded GCM developed for the ESPA2-LD membrane.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Group Contribution Method to Predict the Mass Transfer Coefficients of Organics through Various RO Membranes

Kibler

Mohrhardt

Zhang

et al. 2020

Environ. Sci. Technol.

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Reverse osmosis (RO) is a membrane technology that separates dissolved species from water. RO has been applied for the removal of chemical contaminants from water for potable reuse applications. The presence of a wide variety of influent chemical contaminants and the insufficient rejection of low-molecular-weight neutral organics by RO calls for the need to develop a model that predicts the rejection of various organics. In this study, we develop a group contribution method (GCM) to predict the mass transfer coefficients by fragmenting the structure of low-molecular-weight neutral organics into small parts that interact with the RO membrane. Overall, 54 organics including 26 halogenated and oxygenated alkanes, 8 alkenes, and 20 alkyl and halobenzenes were used to determine 39 parameters to calibrate for 6 different RO membranes, including 4 brackish water and 2 seawater membranes. Through six membranes, approximately 80% of calculated rejection was within an error goal (i.e., ±5%) from the experimental observation. To extend the GCM for a reference RO membrane, ESPA2-LD, 14 additional organics were included from the literature to calibrate nitrogen-containing functional groups of nitrosamine, nitriles, and amide compounds. Overall, 49 organics (72% of 68 compounds) from calibration and 7 compounds (87.5% of 8 compounds) from prediction were within the error goal.

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“…Although there has traditionally been little evidence on the presence of pores in RO membranes due to measurement limitations, gradually strengthening the support for the solution-diffusion model over the decades, some pore-based models also emerged [85][86][87], which are now being supported by experimental data as measurement tools for sub-nanometer pores become advanced, as discussed by Ismail et al [18,88]. (Figure 15), which was then verified in [89], showing a reasonable agreement between theoretical predictions and experimental measurements.…”

Section: Optimization Of Design and Operational Parameters In Msfmentioning

confidence: 99%

Mathematical and optimization modelling in desalination: State-of-the-art and future direction

et al. 2019

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The growing water demand across the world necessitates the need for new and improved processes as well as for a better understanding of existing processes. This level of understanding includes predicting system performance in scenarios that cannot always be evaluated experimentally. Mathematical modelling is a crucial component of designing new and improved engineering processes. Through mathematically modelling real life systems, we gain a deeper understanding of processes while being able to predict performance more effectively. Advances in computational capacity and the ease of assessing systems allow researchers to study the feasibility of various systems. Mathematical modelling studies enable optimization performance parameters while minimizing energy requirements and, as such, have been an active area of research in desalination. In this review, the most recent developments in mathematical and optimization modelling in desalination are discussed with respect to transport phenomena, energy consumption, fouling predictions, and the integration of multiple scaling evolution on heat transfer surfaces has been reviewed. Similarly, developments in optimization of novel reverse osmosis (RO) configurations have been analyzed from an energy consumption perspective. Transport models for membranebased desalination processes, including relatively less understood processes such as nanofiltration and forward osmosis are presented, with recent modifications to allow for different solutes and solutions. Mathematical modelling of hybrid systems integrated with RO has also been reviewed. A survey of the literature shows that mathematical and optimization modelling of desalination processes is an exciting area for researchers in which future scholarship includes coupling of renewable energy systems with desalination technologies, as well as more advanced descriptions of fouling evolution other than that of cake filtration in membrane-based processes.

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Emerging investigators series: a steric pore-flow model to predict the transport of small and uncharged solutes through a reverse osmosis membrane

Abstract: This study proposed a new approach to apply the steric pore-flow model to predict the rejection of eight N-nitrosamines and seven VOCs that are of great concern in potable water reuse through an RO membrane.

Cited by 5 publications

References 44 publications

Impact of Polymer Chain Rearrangements in the PA Structure of RO Membranes on Water Permeability and N-Nitrosamine Rejection

Impact of Polymer Chain Rearrangements in the PA Structure of RO Membranes on Water Permeability and N-Nitrosamine Rejection

Group Contribution Method to Predict the Mass Transfer Coefficients of Organics through Various RO Membranes

Mathematical and optimization modelling in desalination: State-of-the-art and future direction

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