Effect Of Hydrophilicity Research Articles

Effect of Surface Hydrophilicity on the Desulfurization Performance of ZnO/SiO2 Composite

Two kinds of ZnO/SiO2 composite (labled as SZ-1 and SZ-2) were synthesized by sol–gel method and characterized by X-ray diffraction (XRD) patterns, XPS (X-ray photoelectron spectroscopy) spectra and Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectra. Water adsorption on the prepared sample was studied by in situ DRIFT. The as-synthesized SZ-1 and SZ-2 sample have different surface property due to the various aging methods in the sample preparation processes, thus showing different results of water adsorption. The adsorption sites (Si atom in Si–O–Si bond) on the surface of SZ-2 for water molecule are occupied by the –OCH3 group and the hydrophilicity of SZ-2 is weaker, in comparison to SZ-1, which inhibits the formation of water film and ultimately decreases desulfurization performance of SZ-2. So, the desulfurization performance can be changed by altering the hydrophilicity of sorbent.

The effect of synthesis conditions and tunable hydrophilicity on the drug encapsulation capability of PLA and PLGA nanoparticles.

Three drugs with different hydrophilicity are encapsulated in poly-lactide (PLA) and Poly(lactide-co-glycolide) (PLGA) drug delivery systems prepared by ring-opening polymerization (ROP). Formation of well-defined core-shell type nanoparticles (NPs) is observed for α-tocopherol (TP) and by systematically altering the hydrophilicity of the drug carrier NPs the entrapment efficiency (EE (%)) can be remarkably controlled. The highest (90%) of EE (%) is obtained for the most lipophilic TP from the applied three drugs in the 75% lactide-containing PLGA75 NPs, which is ca. 69% for PLA NPs. Subsequent to drug loading the detailed characterization of the polymers and the formed NPs was carried out. Precipitation titrations reveal that our PLGAs have narrower weight distribution than the commercially available polymer enabling favorable properties to obtain NPs with better size distribution. It is pointed out that during the synthesis the applied solvent and stabilizing agent play a decisive role in the size distribution and stability of the drug carrier NPs. The Pluronic F127-stabilized NPs have the smallest diameter (ca. 190 nm) with less polydispersity among the applied stabilizing agent in nanoprecipitation.

CFD Study on Effects of Geometric Shape and Surface Hydrophilicity and Hydrophobicity on the Drainage Capacity of Plant Leaves

The photosynthesis process of plant requires fast removal of surface contaminant of leaves. The removal of surface contaminants is highly related to the drainage capacity of the leaf. This paper conducted a comprehensive study on the drainage capacity of plant leaves. The effects of both leaf shape and leaf hydrophilicity/hydrophobicity are investigated. This paper uses Computational Fluid Dynamics (CFD) technology to simulate the drainage process of plant leaves. The numerical simulation results indicate that hydrophilic leaves requires the sharp parts on the edges to remove the water. On the other hand, the drainage capacity of hydrophobic leaves is independent of the shape of the leaves.

Effects of Particle Hydrophilicity and Morphology on Aerosol Scavenging in a Wet Electrostatic Scrubber

ABSTRACT In this work, influences of particle hydrophilicity and morphology on its removal by electrically neutral and positively charged water droplets were investigated experimentally in a home-made chamber. Potassium chloride (KCl) and Di-Ethyl-Hexyl-Sebacate (DEHS) and agglomerated KCl aerosols were successively adopted as representative testing cases and each test was carried out batchwise. The results showed that minimal collection efficiency of DEHS particles (hydrophobic) could be improved from 38% to 82% due to droplet charging after spray for ten minutes, which is a significantly greater increment than that of KCl particles (hydrophilic) after same charging-spray time. Additionally, droplet charging enhances the operational stability of traditional spray to collect DEHS particles in tested sizes while contributes most to removal of KCl particles only in low concentration and intermediate size. As a comparison with nearly spherical particles (KCl), a higher collection efficiency by electrically neutral droplets corresponds to loose agglomerates in low particle concentration due to interception mechanism, but the difference could be weakened by an addition of electric field onto water spray.

Effects of amphiphilic monomers and their hydrophilic spacers on polyacrylamide hydrogels.

Hydrogels based on physical interactions have been extensively studied due to their special network structure and excellent mechanical properties. In this paper, a series of hydrogels based on hydrophobic interactions were prepared via the free-radical copolymerization of acrylamide and polymerizable amphiphilic monomers dodecanol polyoxyethylene (n) acrylates (AEO-n-AC, n = 3, 7, 9, 15, 23) by a simple and facile method. The prepared single-network hydrogels cross-linked by the self-assemble AEO-n-AC micelles acting as cross-linkers exhibited great tensile strength of 0.45 MPa and excellent compression strength of 4.5 MPa. Transmission electron microscopy tests reflected that the morphologies of the self-associated micelles were determined by the hydrophilic segment of the amphiphilic monomers, which further affected the mechanical properties of the hydrogel. Amphiphilic monomer with appropriate length of hydrophilic spacers could significantly enhance the tensile strength of the hydrogel. Meanwhile, amphiphilic monomers with long hydrophilic segment were advantageous for the compression properties of the hydrogel. Furthermore, the hydrogels exhibited excellent micro self-repair ability during the cycling tensile and loading-unloading test even at the strain and compression were 400%, 0.95, respectively. This discover of hydrophilic spacer effect is of great significance for the design of physical interaction-based hydrogels with high strength and compression properties.

Effect of thiocyanate anions on switching of poly (N-isopropylacrylamide) tethered to nanoparticle surface

<sec>A recent experiment carried by Humphreys et al. (Humphreys B A, Wanless E J, Webber Grant B 2018 <i>J. Colloid Interface Sci</i>. <b>516</b> 153) shows that when poly (N-isopropylacrylamide) (PNIPAM) tethered to nanoparticle surface is immersed in potassium thiocyanate solution, the thiocyanate anions (SCN<sup>–</sup>) can increase the low critical solution temperature (LCST) of the PNIPAM below 500 mmol, though the LCST is reduced when at 1000 mmol. It is unclear why the SCN<sup>–</sup> increases the LCST at low concentration and reduces the LCST at high concentration. In this paper, using a molecular theory, we investigate the effect of SCN<sup>–</sup> on the switching and the structure of PNIPAM tethered to nanoparticle surface. In our model the PNIPAM-SCN<sup>–</sup> bonding (P—S bonds), electrostatic effects and their explicit coupling to the PNIPAM conformations are taken into consideration. We find that under the low SCN<sup>–</sup> concentration, as the SCN<sup>–</sup> concentration increases, the SCN<sup>–</sup> is associated with the PNIPAM chains through the PNIPAM—S bonds, and the PNIPAM segments become negatively charged, which makes electrostatic repulsion stronger and results in an increase in the LCST.</sec><sec>According to our model, the reduction of LCST at high SCN<sup>–</sup> concentration can be explained as follows: with the increase of SCN<sup>–</sup> concentration, more and more PNIPAM-SCN<sup>–</sup> bindings occur between SCN<sup>–</sup> and PNIPAM segments, which will lead the hydrophobicity of PNIPAM chains to increase. On the other hand, the P—S bonds have been filled at the high SCN<sup>–</sup> concentration, and the PNIPAM chains become more negatively charged. The increase of the SCN<sup>–</sup> is accompanied with an increase in the concentration of counterions (K<sup>+</sup>). The increase of counterion concentration will give rise to the counterion-mediated attractive interactions along the chains and electrostatic screening within the negatively charged PNIPAM, thus the LCST can be reduced when further increasing the SCN<sup>–</sup> concentration. The reduction of LCST can be attributed to the increased hydrophobicity of PNIPAM chains, or to the counterion-mediated attractive interaction along the chains and the screening of the electrostatic interactions. </sec><sec>By analyzing the distribution of PNIPAM segments near the critical temperature, we find that the distribution of volume fractions of the PNIPAM tethered to nanoparticle surface shows a maximum when the hydration of PNIPAM and PNIPAM-SCN<sup>–</sup> binding are stronger, which implies that a vertical phase separation may occur. Based on our theoretical model, a vertical phase separation and a two-step phase transition behaviors in the PNIPAM tethered to nanoparticle surface are predicted. We also analyze the height of the PNIPAM, which is a function of temperature at different SCN<sup>–</sup> concentrations, and then obtain the critical temperature of the two-step phase transition. The results show that the vertical phase separation and the two-step phase transition are promoted by competition between hydrophobicity, hydrophilicity and electrostatic effects due to the P—S bonds. Our theoretical results are consistent with the experimental observations, and provide a fundamental understanding of the effects of SCN<sup>–</sup> on the LCST of PNIPAM tethered to nanoparticle surface.</sec>

Opportunities regarding the potential use of the self-cleaning concept within urban contemporary architecture in Romania

Contemporary urban architecture faces two important issues: degradation of buildings, caused by exposure to various environmental factors (air and water pollution, mainly generated by the fuels combustion used for transport and heating) and also the costs for repair, cleaning and maintenance of the buildings facades. Regarding the last mentioned aspects, recent research led to development of materials with self-cleaning potential and consequently pollution reduction. Self-cleaning concrete represents a state-of-the-art material with photocatalytic properties generated by the addition in its composition of nanomaterials like TiO2. Already known for its intrinsic photocatalytic character, TiO2 has the ability to catalyse the decomposition of organic substances like grease and dirt, facilitating their quick removal only by rainwater action. Therefore, a building façade made of TiO2-SiO2-containing material develops substantial savings regarding maintenance costs, water consumption and less detergents contamination due to its intrinsic super hydrophilic effect of the surface in the presence of UV radiation, leading to easy dirt removal when water reaches it. The aim of present paper is presenting the latest stage of worldwide research regarding the obtaining of self-cleaning concrete and also the possibility of adapting the concept to the actual Romanian architecture needs, as a sustainable solution for urban pollution reduction.

Effect of Etchant on SOI Wafer Surface Roughness for APTES Silanization

Abstract In biosensor, organic molecule is used as coupling agent for silicon wafer to attach with DNA since DNA cannot be directly bonded with the silicon surface. There are several organic molecules that can self-assemble on silicon surface and modify their properties. Silane molecules such as (3-aminopropyl) triethoxysilane (APTES), (3-(aminopropyl) triethoxysilane (APTMS) and (3-mercaptopropyl) trimethoxysilane (MPTMS) have been commonly used as a primary step to covalently attach on silicon-on-insulator (SOI) wafer. Silanes were attached to the Si-O-Si bond on the surface on SOI wafer. In this research, the effect of APTES silanization on the surface roughness of SOI wafer was studied. Tetramethylammonium hydroxide (TMAH) was used to etch SOI wafer. Ranges of surface roughness of SOI wafer were obtained after adding some additives such as isopropyl alcohol (IPA) and triton X-100. Subsequently, gold nanoparticles (AuNPs) were attached on SOI wafer surface to confirm the existing of APTES. The surface roughness of SOI wafer was characterized in detail using atomic force microscope (AFM) and scanning electron microscope (SEM). The wettability of APTES solution on the etched SOI wafer surface was measured using goniometer. It was found that lower surface roughness of SOI wafer was observed after etched using ternary solutions that consisted of TMAH, Triton X-100 and IPA. It produced excellent hydrophilic effect of APTES solution then resulted in the highest weight percent of gold attached on the SOI wafer after the silanization process.

Tensile behaviour for mercerization of single kenaf fiber

A natural fiber including kenaf fibers that reinforce with polymeric composite has increased attention in the manufacturing industries. However, the poor adhesion between fiber and matrix are commonly encountered respectively to their compatibility nature namely hydrophilic and hydrophobic. Therefore, alkaline treatment has introduced to reduce the hydrophilic effect of natural fiber. This paper presents the treatment of single kenaf fibers following tensile test and predicted using analysis of variance (ANOVA). Here, the kenaf fibers were modified using NaOH at different solutions. Then, the single kenaf fiber was performed under ASTM D3379-89 standard. The results showed that kenaf fiber which treats with NaOH solution of 6% significantly offered the outstanding performance of the tensile behaviour.

Cilostazol-loaded electrospun three-dimensional systems for potential cardiovascular application: Effect of fibers hydrophilization on drug release, and cytocompatibility

Currently marketed drug-eluting stents are non-selective in their anti-restenotic action. New active substance introduction to polymeric stents and vascular grafts can promote early re-endothelialization, crucial in preventing implant restenosis. Additionally, managing material hydrophobicity by blending synthetic polymers limits adverse effects on bulk properties and controls active substance release. However, the influence of hydrophilic synthetic polymer on human cells in the cardiovascular system remains to be determined. In this report, effects of both poly(ε-caprolactone) (PCL) fibers hydrophilization with Pluronic P123 (P123) and cilostazol (CIL) loading were studied.Physicochemical and mechanical properties of electrospun tubular structures produced from PCL and PCL/P123 fibers with and without CIL were investigated and compared. Release profiles studies and in vitro cell proliferation assays of electrospun materials were conducted. It was found that P123 located near the surface of electrospun fibers increased the rate of CIL release. PCL formulation sustained human umbilical vein endothelial cells (HUVEC) growth for 48 h. Despite improved hydrophilicity, PCL/P123 formulations were found to reduce HUVEC viability. Both PCL and PCL/P123 materials reduced primary aortic smooth muscle cells (PASM) viability after 48 h. In PCL formulations containing CIL, drug release caused a decrease in PASM viability. P123 blending with PCL was found to be as a useful pre-fabrication technique for modulating surface hydrophobicity of electrospun materials and the release profile of incorporated active substance. The cytotoxicity of P123 was evaluated to improve the design of drug-loaded vascular grafts for cardiovascular applications.

Reduction in mesoscopic structural fluctuations of liquid water induced by the large amphiphilicity of ionic liquid cations

Liquid water has an inhomogeneous structure in the molecular organization, due to the cooperative hydrogen bonding. Here, we report the effect of ionic liquid cations on the structural fluctuations of water using the small-angle X-ray scattering method. Aqueous solutions of imidazolium-, ammonium-, and phosphonium-based cations with butyl alkyl-chain(s) were investigated as typical cations forming ionic liquids. The investigation was performed on the basis of the concept of Mixing Scheme I, within which water maintains percolation of the hydrogen-bonding network and therefore holds the characteristic property of water even in solution systems. Dissolution of typical ionic liquid cations led to extreme reduction in the mesoscopic structural fluctuations, compared to molecular liquid. This reduction of the fluctuation is discussed both in terms of the contribution of the hydrophobic hydration of water molecules around the cations and the distorted hydrogen bonding network in bulk water due to the hydrophilic effect.

Controllable tartaric acid modified ZnO crystals and their modification−determined optical, superhydrophilic/hydrophilic and photocatalytic properties

The strong, moderate and weak tartaric acid (TA) modified ZnO crystals corresponding to rich, moderate, few or no surface defects were prepared by controllable hydrothermal method respectively. With the temperatures increasing from 120 to 180 °C, the ZnO properties are converted from strong TA modification via bidentate coordination, large band gap (3.938 eV), compressive stress, visible emission, low photoactivity, and superhydrophilicity to weak and moderate TA modification via monodentate coordination, low band gap, tensile stress, dominant UV emission, high photodegradation, and hydrophilicity. The temperature controls TA modification on ZnO surface, while TA modification further determines the ZnO properties. UV and Vis emission intensities, the number of surface defects, superhydrophilicity/hydrophilicity and photocatalytic performance can be tuned via controlling the TA modification on ZnO surface. For example, the dominant UV emission can be obtained without any DLE via week ZnO surface modification. The MB removal efficiency of S9 can rapidly reach 90% within 45 min. The KMB and KMO curves have the similar change tendency. The highest KMB and KMO are 4.22 × 10−2 (S9) and 1.93 × 10−2 (S4) min−1 respectively. The strong TA−modified S1, S2 and weak TA−modified S5 possess the superhydrophilicity with WCA of 0°, 6.01° and 9.13° respectively. The photocatalytic activity of ZnO significantly decreases on strong TA−modified surface due to the steric hindrance of TA, while the ZnO hydrophilicity is proportional to its photocatalytic efficiency on weak TA−modified surface. The exposed (002) and (100) hydrophilic facets of ZnO build up the direct relationship between its photocatalysis and hydrophilicity. The appropriate ZnO hydrophilicity and TA modification can form a perfect combination, which products the synergetic effect of high hydrophilicity and photocatalytic activity.

Modification of polyethylene tube surface in dielectric barrier discharge

Abstract

EFFECT OF POLYMERS ON THE PHYSICOCHEMICAL AND DRUG RELEASE PROPERTIES OF TRANSDERMAL PATCHES OF ATENOLOL

Objective: The objective of this research work was to develop a transdermal drug delivery system containing atenolol with different ratios of hydrophilic and hydrophobic polymeric combinations, using solvent evaporation technique and to examine the effect of hydrophilicity and hydrophobicity of polymers on the physicochemical and drug release properties of transdermal patches.Methods: Solvent casting method has been used to formulate transdermal patches. Hydroxypropyl methylcellulose (HPMC), Polyvinylpyrrolidone (PVP), Ethylcellulose (EC) in different combination ratios were used as the polymer. Propylene glycol was used as a plasticizer. Permeation enhancers such as span 80 were used to enhance permeation through the skin. In vitro diffusion study was carried out by franz diffusion cell using egg membrane as a semi-permeable membrane for diffusion.Results: Result showed that the thickness of the all batch of patches varied from 0.32 to 0.39 mm with uniformity of thickness in each formulation. Formulations F1 to F3 had high moisture content varied from 2.07±0.09 to 2.56±0.15 and high moisture uptake value varied from 3.21±0.35 to 4.09±0.38, due to a higher concentration of hydrophilic polymers. Drug content of all batches was ranged between 85.92±1.32 to 95.71±1.42. Folding endurance values off all batches were more than 75. Formulation batches F1 to F3 showed higher cumulative drug release varied from 61.34% to 68.11% as compared to formulation batches F4 to F6.Conclusion: Higher proportion of hydrophilic polymer in the formulation of transdermal patches, gives higher percentage drug release from prepared patches. The finding of the study indicates that hydrophilicity and hydrophobicity of polymer effects the physicochemical and drug release properties of transdermal patches and an optimum proportion of hydrophilic and hydrophobic polymer is required for the preparation of effective transdermal patches.

Synthesis of cation exchange membranes based on sulfonated polyether sulfone with different sulfonation degrees

Composite cation exchange membranes (C-CEMs) based on mainchain sulfonated polyether sulfone (SPES) and polyvinyl pyrrolidone (PVP) have been prepared and the effects of hydrophilicity on C-CEM properties investigated in a previous work. In this study, membrane properties were optimized by investigating the effects of degrees of sulfonation (DS) on CEM properties. SPES with different DS were synthesized and C-CEMs based on PVP and SPES with different DS easily prepared. SPES structures were characterized by FTIR and the DS tested by acid-base titration. TGA, XRD, AFM, and SEM were used to characterize membrane properties and the results showed that C-CEM hydrophilicity increased with increased DS and the ionic conductivity increased accordingly. The ionic conductivity of S-25/P membrane was 0.098 S/cm and higher than the ionic conductivity of commercial TingRun membrane, at 0.082 S/cm. The feasibility for actual electrodialysis (ED) applications was also explored. ED experiments showed that S-20/P membranes possessed better desalination effects than those of TingRun membranes. Increased DS contributed to the formation of higher densities of ionic clusters and the availability of more ion transport channels. Synergistic effects between ionic clusters and hydrophilicity for ion transport were more significant with increased DS. This study demonstrated that C-CEMs based on mainchain SPES and PVP were optimized by properly improving the DS.

Influence of atmospheric pressure plasma jet and diffuse coplanar surface barrier discharge treatments on wood surface properties: A comparative study

Beech and larch substrates were successfully treated by an atmospheric pressure plasma jet (APPJ) or a diffuse coplanar surface barrier discharge (DCSBD) system. Applying both technologies on wood, more hydrophilic properties were achieved, potentially by the degradation of hydrophobic extractives, the generation of polar functional groups and a modification of surface roughness. Comparing both plasma systems, the hydrophilization effect was stronger using the APPJ. The formation of polar groups on the surface was detected by X–Ray photoelectron spectroscopy. Investigated by scanning electron microscopy, APPJ further showed a more distinct impact on surface morphology compared to DCSBD. Following natural aging, plasma treatment effects such as hydrophilicity were partially reduced and the recovery was more pronounced for larch wood compared to beech.

Optothermophoretic Manipulation of Colloidal Particles in Nonionic Liquids.

The response of colloidal particles to a light-controlled external temperature field can be harnessed for opto-thermophoretic manipulation of the particles. The thermoelectric effect is regarded as the driving force for thermophoretic trapping of particles at the light-irradiated hot region, which is thus limited to ionic liquids. Herein, we achieve opto-thermophoretic manipulation of colloidal particles in various non-ionic liquids, including water, ethanol, isopropyl alcohol and 1-butanol, and establish the physical mechanism of the manipulation at the molecular level. We reveal that the non-ionic driving force originates from a layered structure of solvent molecules at the particle-solvent interface, which is supported by molecular dynamics simulations. Furthermore, the effects of hydrophilicity, solvent type, and ionic strength on the layered interfacial structures and thus the trapping stability of particles are investigated, providing molecular-level insight into thermophoresis and guidance on interfacial engineering for optothermal manipulation.

Effects of l-α-amino acids side chains on their interparticle interactions with the dissociated potassium chloride in aqueous solutions

Dissolution enthalpies of several natural amino acids (l-α-asparagine, l-α-glutamine, l-α-aspartic acid, l-α-glutamic acid, l-α-arginine, l-α-lysine and l-α-histidine) were measured in aqueous solutions of potassium chloride at T = 298.15 K. Based on the resulting data the standard dissolution enthalpy of amino acids in aqueous solutions of potassium chloride have been determined. The standard dissolution enthalpy values were subsequently used to calculate the heterogeneous enthalpic pair interaction coefficients (hA-KCl) between zwitterions of l-α-amino acids and dissociated potassium chloride in water. Interparticle interactions in system (amino acid + dissociated KCl + water) were interpreted in terms of the hydrophobic - hydrophilic effects of the side chains of the tested encoded amino acids.

Antibacterial, Hydrophilic Effect and Mechanical Properties of Orthodontic Resin Coated with UV-Responsive Photocatalyst.

Photocatalysts have multiple applications in air purifiers, paints, and self-cleaning coatings for medical devices such as catheters, as well as in the elimination of xenobiotics. In this study, a coating of a UV-responsive photocatalyst, titanium dioxide (TiO2), was applied to an orthodontic resin. The antibacterial activity on oral bacteria as well as hydrophilic properties and mechanical properties of the TiO2-coated resin were investigated. ultraviolet A (UVA) (352 nm) light was used as the light source. Antibacterial activity was examined with or without irradiation. Measurements of early colonizers and cariogenic bacterial count, i.e., colony forming units (CFU), were performed after irradiation for different time durations. Hydrophilic properties were evaluated by water contact angle measurements. While, for the assessment of mechanical properties, flexural strength was measured by the three-point bending test. In the coat(+)light(+) samples the CFU were markedly decreased compared to the control samples. Water contact angle of the coat(+)light(+) samples was decreased after irradiation. The flexural strength of the specimen irradiated for long time showed a higher value than the required standard value, indicating that the effect of irradiation was weak. We suggest that coating with the ultraviolet responsive photocatalyst TiO2 is useful for the development of orthodontic resin with antimicrobial properties.

Molecular Dynamics Simulations of Substrate Hydrophilicity and Confinement Effects in Capped Nafion Films.

Nafion nanocomposites for energy-related applications are being used extensively because of the attractive properties such as enhanced water retention, low unwanted crossover of electrolytes, and high proton conductivity. We present the results of the molecular dynamics modeling of Nafion films confined between two walls (substrates) of different polymer–wall interaction strengths and of different separation distances to model Nafion nanocomposites. Our goal is to provide insights into the effects of varying hydrophilicity and volume fraction of fillers/nanoparticles on the internal structure and water transport inside the Nafion membrane. The sulfur–sulfur radial distribution function first peak distance and the sulfur–oxygen (water) coordination number in the first hydration shell were negligibly affected by the wall (substrate) hydrophilicity or the film thickness. The Nafion side chains were found to bend toward the substrates with high hydrophilicity which is in qualitative agreement with existing experiments. The amount of bending was observed to reduce with increasing film thickness. However, the side-chain length did not show any noticeable variation with wall (substrate) hydrophilicity or film thickness. The water clusters became smaller and more isolated clusters emerged for highly hydrophilic substrates. In addition, the water cluster sizes showed a decreasing trend with decreasing film thickness in the case of hydrophilic substrates, which has also been observed in experiments of supported Nafion films. The in-plane water diffusion was enhanced considerably for hydrophilic substrates, and this mechanism has also been proposed previously in experiments. The in-plane water diffusion was also found to be a strong function of the substrate selectivity toward the hydrophilic phase. Our simulations can help provide more insights to experimentalists for choosing or modifying nanoparticles for Nafion nanocomposites.