The application of solar-driven water evaporation process in clean water production via solar distillation is recently intensively investigated. The phase change and mass transfer processes during the solar-driven water evaporation process can directly leave behind the salts, heavy metals, organic dyes, etc and simultaneously produce the clean water vapor. However, if the water source is contaminated by volatile organic compounds (VOCs), solar-driven water evaporation may accelerate VOCs volatile and enrich them in the condensate. In this work, the enrichment of VOCs in distillate water was first demonstrated and a multi-functional honeycomb ceramic plate was fabricated by coating a layer of CuFeMnO4 on the surface of a cordierite honeycomb ceramic substrate. The honeycomb structure was beneficial for light trapping and energy recycling and thus to improve the solar-to-water evaporation efficiency. The CuFeMnO4 coating layer acted as both the photothermal material for solar-driven water evaporation process and the catalyst for VOCs removal via heterogeneous photon-Fenton reaction. With the integration of photo-Fenton reaction into the solar distillation process, the clean distillate water was produced with efficient removal of the potential VOCs from the contaminated water sources.

Polystyrene-b-poly(2-vinylpyridine)-b-poly(ethylene oxide) (PS-b-P2VP-b-PEO) terpolymer is a versatile polymer to form isoporous films and membranes, due to the possibility of self-assembly control and the properties of the different blocks, such as the P2VP ability of complexation, and H-bond formation, and the PEO biocompatibility. Copolymers with different block ratios and sizes were synthesized. The correlation between their equilibrium bulk morphology, the self-assembly in dilute and semi-dilute solutions and the non-equilibrium porous structures of membranes, obtained by non-solvent induced phase separation, was investigated and discussed in detail. The characterization was performed by small-angle X-ray scattering (SAXS), scanning (SEM) and transmission electron microscopy (TEM). Hexagonal, cubic and lamellar arrangements were observed. The preparation conditions were optimized and a regular, isoporous morphology, suitable for membrane application, was successfully obtained with PS80.5k-b-P2VP64.4k-b-PEO16.1k.

A simple and effective method to incorporate catalytic activity to a hollow fiber membrane is reported. Polyetherimide hollow fiber membranes were coated with a solution containing carboxyl-functionalized multi-walled carbon nanotubes and poly(ether-b-amide). Electron microscopy images confirmed the presence of a layer of percolating carbon nanotubes on the surface of the membranes. Cyclic voltammetry and linear swept voltammetry experiments showed that these membranes are able to drive the reactions of hydrogen evolution, and oxygen reduction, making them a cheaper, and greener substitute for platinum based cathodes in microbial bioelectrochemical systems. Water flux and molecular weight cut off experiments indicated that the electrochemically active coating layer does not affect the ultrafiltration performance of the membrane.

We propose a multi-scale simulation approach to model forward osmosis (FO) processes using substrates with layered homogeneous morphology. This approach accounts not only for FO setup but also for detailed microstructure of the substrate using the digitally reconstructed morphology. We fabricate a highly porous block copolymer membrane, which has not been explored for FO heretofore, and use it as the substrate for interfacial polymerization. The substrate has three sub-layers, namely a top layer, a sponge-like middle layer, and a nonwoven fabric layer. We generate a digital microstructure for each layer, and verify them with experimental measurements. The permeability and effective diffusivity of each layer are computed based on their virtual microstructures and used for FO operation in cross-flow setups at the macro scale. The proposed simulation approach predicts accurately the FO experimental data.

Dehumidification is responsible for a large part of the energy consumption in cooling systems in high humidity environments worldwide. Improving efficiency is therefore essential. Liquid desiccants offer a promising solution for dehumidification, as desired levels of humidity removal could be easily regulated. The use of membrane contactors in combination with liquid desiccant is attractive for dehumidification because they prevent direct contact between the humid air and the desiccant, removing both the potential for desiccant carryover to the air and the potential for contamination of the liquid desiccant by dust and other airborne materials, as well as minimizing corrosion. However, the expected additional mass transport barrier of the membrane surface can lower the expected desiccation rate per unit of desiccant surface area. In this context, hollow fiber membranes present an attractive option for membrane liquid desiccant contactors because of their high surface area per unit volume. We demonstrate in this work the performance of polyvinylidene fluoride (PVDF) based triple-bore hollow fiber membranes as liquid desiccant contactors, which are permeable to water vapor but impermeable to liquid water, for dehumidification of hot and humid air.

This work proposes a mathematical dynamic model for the direct contact membrane distillation (DCMD) process. The model is based on a 2D Advection–Diffusion Equation (ADE), which describes the heat and mass transfer mechanisms that take place inside the DCMD module. The model studies the behavior of the process in the time varying and the steady state phases, contributing to understanding the process performance, especially when it is driven by intermittent energy supply, such as the solar energy. The model is experimentally validated in the steady state phase, where the permeate flux is measured for different feed inlet temperatures and the maximum absolute error recorded is 2.78 °C. Moreover, experimental validation includes the time variation phase, where the feed inlet temperature ranges from 30 °C to 75 °C with 0.1 °C increment every 2min. The validation marks relative error to be less than 5%, which leads to a strong correlation between the model predictions and the experiments.

We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥200≥200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥20≥20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

Membrane processes are considered energy-efficient for water desalination and treatment. However most membranes are based on polymers prepared from fossil petrochemical sources. The development of multilayer membranes for nanofiltration and ultrafiltration, with thin selective layers of naturally available cellulose has been hampered by the availability of non-aggressive solvents. We propose the manufacture of cellulose membranes based on two approaches: (i) silylation, coating from solutions in tetrahydrofuran, followed by solvent evaporation and cellulose regeneration by acid treatment; (ii) casting from solution in 1-ethyl-3-methylimidazolum acetate ([C2mim]OAc), an ionic liquid, followed by phase inversion in water. By these methods porous supports could be easily coated with semi-crystalline cellulose. The membranes were hydrophilic with contact angles as low as 22.0°, molecular weight cut-off as low as 3000 g mol-1 with corresponding water permeance of 13.8 Lm−2 h−1 bar−1. Self-standing cellulose membranes were also manufactured without porous substrate, using only ionic liquid as green solvent. This membrane was insoluble in water, tetrahydrofuran, hexane, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and N,N-dimethylacetamide.

Nanostructured block copolymer membranes were manufactured by water induced phase inversion, using ionic liquids (ILs) as cosolvents. The effect of ionic liquids on the morphology was investigated, by using polystyrene-b-poly(4-vinyl pyridine) (PS-b-PV4P) diblock as membrane copolymer matrix and imidazolium and pyridinium based ILs. The effect of IL concentration and chemical composition was evident with particular interaction with P4VP blocks. The order of block copolymer/ILs solutions previous to the membrane casting was confirmed by cryo scanning electron microscopy and the morphologies of the manufactured nanostructured membranes were characterized by transmission and scanning electron microscopy. Non-protic ionic liquids facilitate the formation of hexagonal nanoporous block copolymer structure, while protic ILs led to a lamella-structured membrane. The rheology of the IL/block copolymer solutions was investigated, evaluating the storage and loss moduli. Most membranes prepared with ionic liquid had higher water flux than pure block copolymer membranes without additives.

The membrane morphology significantly influences membrane performance. For osmotically driven membrane processes, the morphology strongly affects the internal concentration polarization. Different membrane morphologies were generated by simulation and their influence on membrane performance was studied, using a 3D model. The simulation results were experimentally validated for two classical phase-inversion membrane morphologies: sponge- and finger-like structures. Membrane porosity and scanning electron microscopy image information were used as model input. The permeance results from the simulation fit well the experimentally measured permeances. Water permeances were predicted for different kinds of finger-like cavity membranes with different finger-like cavity lengths and various finger-like cavity sets, as well as for membranes with cylindrical cavities. The results provide realistic information on how to increase water permeance, and also illustrate that membrane’s complete morphology is important for the accurate water permeance evaluation. Evaluations only based on porosity might be misleading, and the new 3D simulation approach gives a more realistic representation.