Displaying publications 101 - 120 of 829 in total

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  1. Rafique S, Abdullah SM, Shahid MM, Ansari MO, Sulaiman K
    Sci Rep, 2017 01 13;7:39555.
    PMID: 28084304 DOI: 10.1038/srep39555
    This work demonstrates the high performance graphene oxide (GO)/PEDOT:PSS doubled decked hole transport layer (HTL) in the PCDTBT:PC71BM based bulk heterojunction organic photovoltaic device. The devices were tested on merits of their power conversion efficiency (PCE), reproducibility, stability and further compared with the devices with individual GO or PEDOT:PSS HTLs. Solar cells employing GO/PEDOT:PSS HTL yielded a PCE of 4.28% as compared to either of individual GO or PEDOT:PSS HTLs where they demonstrated PCEs of 2.77 and 3.57%, respectively. In case of single GO HTL, an inhomogeneous coating of ITO caused the poor performance whereas PEDOT:PSS is known to be hygroscopic and acidic which upon direct contact with ITO reduced the device performance. The improvement in the photovoltaic performance is mainly ascribed to the increased charge carriers mobility, short circuit current, open circuit voltage, fill factor, and decreased series resistance. The well matched work function of GO and PEDOT:PSS is likely to facilitate the charge transportation and an overall reduction in the series resistance. Moreover, GO could effectively block the electrons due to its large band-gap of ~3.6 eV, leading to an increased shunt resistance. In addition, we also observed the improvement in the reproducibility and stability.
    Matched MeSH terms: Polymers
  2. Kusnin, N., Syed, M.A., Ahmad, S.A.
    MyJurnal
    Acrylamide is a monomer to polyacrylamide; a polymer with diverse application in basic research, industries and agriculture. The monomer is highly toxic while the polymeric form is slowly degraded to its monomeric form in the environment. In this mini review, the toxicity, uses, pollution and biodegradation of this important monomer are discussed. An important aspect of this review is to highlight the application of microorganisms as remediating agent for the removal of this compound from the environment.
    Matched MeSH terms: Polymers
  3. Ding SH, Ng TYS, Chew TL, Oh PC, Ahmad AL, Ho CD
    Polymers (Basel), 2019 Oct 23;11(11).
    PMID: 31652828 DOI: 10.3390/polym11111732
    Mixed matrix membranes (MMMs) separation is a promising technology for gas permeation and separation involving carbon dioxide (CO2). However, finding a suitable type of filler for the formation of defect-free MMMs with enhancement in gas permeability remains a challenge. Current study focuses on synthesis of KIT-6 silica and followed by the incorporation of KIT-6 silica as filler into polysulfone (PSF) polymer matrix to fabricate MMMs, with filler loadings of 0-8 wt %. The effect of KIT-6 incorporation on the properties of the fabricated MMMs was evaluated via different characterization techniques. The MMMs were investigated for gas permeability and selectivity with pressure difference of 5 bar at 25 °C. KIT-6 with typical rock-like morphology was synthesized. Incorporation of 2 wt % of KIT-6 into PSF matrix produced MMMs with no void. When KIT-6 loadings in the MMMs were increased from 0 to 2 wt %, the CO2 permeability increased by ~48%, whereas the ideal CO2/CH4 selectivity remained almost constant. However, when the KIT-6 loading in PSF polymer matrix was more than 2 wt %, the formation of voids in the MMMs increased the CO2 permeability but sacrificed the ideal CO2/CH4 selectivity. In current study, KIT-6 was found to be potential filler for PSF matrix under controlled KIT-6 loading for gas permeation.
    Matched MeSH terms: Polymers
  4. Amir S, Mohamed N, Hashim Ali S
    Sains Malaysiana, 2011;40:1123-1127.
    Due to their high ionic conductivity, solid polymer electrolyte (SPE) systems have attracted wide spread attention as the most appropriate choice to fabricate all-solid-state electrochemical devices, namely batteries, sensors and fuel cells. In this work, ion conductive polymer electrolyte membranes have been prepared for battery fabrication. However, fractals were found to grow in these polymer electrolyte membranes weeks after they were prepared. It was believed that the formation of fractal aggregates in these membranes were due to ionic movement. The discovery of fractal growth pattern can be used to understand the effects of such phenomenon in the polymer electrolyte membranes. Digital images of the fractal growth patterns were taken and a simulation model was developed based on the Brownian motion theory and a fractal dialect known as L-system. A computer coding has been designed to simulate and visualize the fractal growth.
    Matched MeSH terms: Polymers
  5. Abdul Wahab Mohammad, Mohd Tusirin Mohd Nor, Siti Rozaimah Sheikh Abdullah, Hassimi Abu Hasan, Muhammad Said
    Sains Malaysiana, 2015;44:421-427.
    Palm oil mill effluent (POME) treatment has developed in the last decade. Due to the characteristic and volume of POME,
    it needed a complete treatment to reduce the pollutant content. Three pre-treatments method, ultrafiltration, adsorption
    and decantation were applied prior to nanofiltration (NF) membrane. The polyethersulphone membrane, montmorillonite
    as the adsorbent and modern decanter was investigated in this research. Two types of NF membrane, named NF-1 and
    NF-ASP30 were used after pre-treatment. The removal of four important parameters were determined i.e. COD, TSS, colour
    and turbidity. The results showed that the adsorption and UF is better than decantation pre-treatment. The ultrafiltration
    and adsorption can reduce POME content more than 80% for all parameter while decantation varied between 40 and 80%.
    The combination of ultrafiltration and adsorption with both of NF membrane can removed almost all the parameter. But
    the decantation can only remove the turbidity but not for the rest of the parameters. Besides the POME content, the flux
    decline for both of NF membrane was also investigated. The flux of NF-1 membrane was higher than NF-ASP30 membrane
    but NF-ASP was more relative stable for the flux decline. Overall, NF-1 has better performance in flux decline.
    Matched MeSH terms: Polymers
  6. Ali Ahmadzadeh, Sarani Zakaria, Maisarah Yusoff
    The liquefaction of oil palm empty fruit bunch (EFB) in phenol was carried out in the presence of sulfuric acid as a catalyst in the reflux condenser system. The effect of initial phenol input and EFB on liquefaction reaction was investigated by measuring the reaction yield, EFB residue and combined phenol. The initial ratio of phenol to EFB has the greatest influence on the residue and reaction yield. The liquefaction products consist of some liquid by products with high amount of OH groups. The amount of this byproduct is 0.5 time of the solid product (phenolic resin).
    Matched MeSH terms: Polymers
  7. Ashkan Shafiee, Muhamad Mat Salleh, Muhammad Yahaya
    HOMO and LUMO of organic compounds are basic parameters for the design and fabrication of an organic solar cell. This paper presents a technique to obtain HOMO and LUMO of an n-type polymer of [6,6]-phenyl C61-butyric acid 3-ethylthiophene ester (PCBE) and a p-type polymer of poly (3-octyl-thiophene-2, 5-diyl) (P3OT). The energy of band gap for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. The experiments were carried out in a three-electrode cell consisting of a platinum working electrode, a platinum counter electrode and a SCE reference electrode. P3OT showed energy band gap equal to 1.83 eV with HOMO and LUMO equal to 5.59 eV and 3.76 eV, respectively. PCBE showed energy band gap equal to 1.96 eV with HOMO and LUMO equal to 5.87 eV and 3.91 eV, respectively. Based on energy band diagram that was constructed from this experimental result, the couple materials may be successfully used to fabricate the feasible organic solar cells.
    Matched MeSH terms: Polymers
  8. Zhang Q, Wang PI, Ong GL, Tan SH, Tan ZW, Hii YH, et al.
    Polymers (Basel), 2019 May 09;11(5).
    PMID: 31075895 DOI: 10.3390/polym11050840
    In this work, polymers of poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-triphenylamine] with side chains containing: pyrene (C1), diphenyl (C2), naphthalene (C3), and isopropyl (C6) structures were synthesized via a Suzuki coupling reaction. The structures were verified using NMR and cyclic voltammetry measurements provide the HOMO and LUMO of the polymers. The polymer with pyrene (C1) and naphthalene (C3) produced photoluminescence in the green while the polymer with the side chain containing diphenyl (C2) and isopropyl (C6) produce dual emission peaks of blue-green photoluminescence (PL). In order to examine the electroluminescence properties of the polymers, the solutions were spin-coated onto patterned ITO anode, dried, and subsequently coated with an Al cathode layer to form pristine single layer polymer LEDs. The results are compared to a standard PFO sample. The electroluminescence spectra resemble the PL spectra for C1 and C3. The devices of C2, C3, and C6 exhibit voltage-dependent EL. An additional red emission peak was detected for C2 and C6, resulting in spectra with peaks at 435 nm, 490 nm, and 625 nm. The effects of the side chains on the spectral characteristics of the polymer are discussed.
    Matched MeSH terms: Polymers
  9. Ali Ahmadzadeh, Sarani Zakaria, Rozaidi Rasid, Sharifah Nabihah
    Sains Malaysiana, 2008;37:233-237.
    Biofiber is used in the polymer based composite as a renewable resource due to its positive environmental benefits, biodegradable properties, low cost and high toughness. Biocomposite was fabricated using oil palm empty fruit bunch (EFB) as filler in phenolated EFB (PEFB) matrix. Phenolated EFB (PEFB) obtained from liquefaction of EFB in phenol was used as a biopolymer to replace novolak phenolic resin which is commonly used in composite materials. Sulfuric acid was used as a catalyst in the liquefaction reaction. The effect of thermal aging and blending ratio of PEFB matrix and EFB fibers on the mechanical properties of composites has been studied. The flexural data before and after thermal aging revealed the optimum amount of EFB filler is 50% . The result showed better compatibility between EFB and PEFB when compared with EFB and commercial novolak resin.
    Matched MeSH terms: Biopolymers; Polymers
  10. Low L, Abu Bakar A
    Sains Malaysiana, 2013;42:443-448.
    Hollow epoxy particles (HEP) serving as reinforcing fillers were prepared using the water-based emulsion method in this study. HEP was incorporated into the polyester matrix at various loading, ranging from 0 wt% to 9 wt%, to toughen the brittle polyester thermoset. The polyester composites were prepared using the casting technique. The fracture toughness and impact strength of the polyester composites increased with increasing the HEP loading up to 5 wt%, after which
    there was a drop. The improvement in fracture toughness and impact strength is attributed to the good polymer-filler interaction. This finding was further supported by the scanning electron micrograph, in which it was shown that the polyester resin was interlocked into the pore regions of the HEP filler. The reduction in fracture toughness and impact strength of the polyester composite were believed to be attributed to the filler agglomeration. This filler-filler interaction would create stress concentration areas and eventually weakened the interfacial adhesion between the polymer matrix and the filler particles. Hence, lower fracture toughness and impact strength of the highly HEP-filled polyester composites (above 5 wt%) were detected.
    Matched MeSH terms: Polymers
  11. Zaman R, Islam RA, Ibnat N, Othman I, Zaini A, Lee CY, et al.
    J Control Release, 2019 05 10;301:176-189.
    PMID: 30849445 DOI: 10.1016/j.jconrel.2019.02.016
    Macromolecular protein and peptide therapeutics have been proven to be effective in treating critical human diseases precisely. Thanks to biotechnological advancement, a huge number of proteins and peptide therapeutics were made their way to pharmaceutical market in past few decades. However, one of the biggest challenges to be addressed for protein therapeutics during clinical application is their fast degradation in serum and quick elimination owing to enzymatic degradation, renal clearance, liver metabolism and immunogenicity, attributing to the short half-lives. Size and hydrophobicity of protein molecules make them prone to kidney filtration and liver metabolism. On the other hand, proteasomes responsible for protein destruction possess the capability of specifically recognizing almost all kinds of foreign proteins while avoiding any unwanted destruction of cellular components. At present almost all protein-based drug formulations available in market are administered intravenously (IV) or subcutaneously (SC) with high dosing at frequent interval, eventually creating dose-fluctuation-related complications and reducing patient compliance vastly. Therefore, artificially increasing the therapeutic half-life of a protein by attaching to it a molecule that increases the overall size (eg, PEG) or helps with receptor mediated recycling (eg, albumin), or manipulating amino acid chain in a way that makes it more prone towards aggregate formation, are some of the revolutionary approaches to avoid the fast degradation in vivo. Half-life extension technologies that are capable of dramatically enhancing half-lives of proteins in circulation (2-100 folds) and thus improving their overall pharmacokinetic (PK) parameters have been successfully applied on a wide range of protein therapeutics from hormones and enzymes, growth factor, clotting factor to interferon. The focus of the review is to assess the technological advancements made so far in enhancing circulatory half-lives and improving therapeutic potency of proteins.
    Matched MeSH terms: Polymers/pharmacokinetics; Polymers/therapeutic use; Polymers/chemistry
  12. Qadir D, Nasir R, Mukhtar HB, Keong LK
    Water Environ Res, 2020 Sep;92(9):1306-1324.
    PMID: 32170974 DOI: 10.1002/wer.1326
    The asymmetric polyethersulfone (PES-15 wt.%) mixed-matrix membranes were prepared by incorporation of carbon molecular sieve (CMS) with varying concentrations (1, 3, and 5 wt.%). Physicochemical characterization of synthesized membranes was carried out using field emission scanning electron microscope, atomic force microscopy, contact angle, thermogravimetric analysis, zeta potential analyzer, porosity, and mean pore sizes. Performance analysis of synthesized mixed-matrix membranes was carried out by varying the operating parameters such as pressure (2-10 bar), feed concentration (100-1,000 mg/L), and cations type (Na+ , Ca2+ , Mg2+ , and Sn2+ ). Effect of operating parameters and CMS concentration was investigated on pure water flux (PWF), permeate flux, and rejection of membranes. It was found that mixed-matrix membrane containing 15 wt.% PES with 1 wt.% CMS displayed the superior physicochemical characteristics in terms of hydrophilicity (37.9°), surface charge (-13.8 mV), mean pore diameter (6.04 nm), and thermal properties (Tg  = 218.5°C), and overall performance. E5C1 membrane showed 1.5 times higher PWF (75.5 L m-2  hr-1 ) and incremented in rejection for all salts than the nascent membrane. PRACTITIONER POINTS: Carbon molecular sieve-embedded mixed-matrix membranes were synthesized by phase inversion method. The resultant membranes experienced improved hydrophilicity, roughness, surface charge, porosity, and mean pore diameter with 1 wt.% CMS loading. The pure water flux was improved from 55.77 to 75.05 L m-2  hr-1 when 1 wt.% CMS was added in pure PES. The observed rejection of a mixed-matrix membrane with 1 wt.% CMS was the maximum for all salts.
    Matched MeSH terms: Polymers
  13. Rahimian Koloor SS, Karimzadeh A, Yidris N, Petrů M, Ayatollahi MR, Tamin MN
    Polymers (Basel), 2020 Jan 07;12(1).
    PMID: 31936184 DOI: 10.3390/polym12010157
    Composite structures are made of multidirectional (MD) fiber-reinforced polymer (FRP) composite laminates, which fail due to multiple damages in matrix, interface, and fiber constituents at different scales. The yield point of a unidirectional FRP composite is assumed as the lamina strength limit representing the damage initiation phenomena, while yielding of MD composites in structural applications are not quantified due to the complexity of the sequence of damage evolutions in different laminas dependent on their angle and specification. This paper proposes a new method to identify the yield point of MD composite structures based on the evolution of the damage dissipation energy (DDE). Such a characteristic evolution curve is computed using a validated finite element model with a mesoscale damage-based constitutive model that accounts for different matrix and fiber failure modes in angle lamina. The yield point of composite structures is identified to correspond to a 5% increase in the initial slope of the DDE evolution curve. The yield points of three antisymmetric MD FRP composite structures under flexural loading conditions are established based on Hashin unidirectional (UD) criteria and the energy-based criterion. It is shown that the new energy concept provides a significantly larger safe limit of yield for MD composite structures compared to UD criteria, in which the accumulation of energy dissipated due to all damage modes is less than 5% of the fracture energy required for the structural rupture.
    Matched MeSH terms: Polymers
  14. Nuryawan A, Abdullah CK, Hazwan CM, Olaiya NG, Yahya EB, Risnasari I, et al.
    Polymers (Basel), 2020 Apr 27;12(5).
    PMID: 32349385 DOI: 10.3390/polym12051007
    Using oil palm trunk (OPT) layered with empty fruit bunch (EFB), so-called hybrid plywood enhanced with palm oil ash nanoparticles, with phenol-formaldehyde (PF) resin as a binder, was produced in this study. The phenol-formaldehyde (PF) resins filled with different loading of oil palm ash (OPA) nanoparticles were prepared and used as glue for layers of the oil palm trunk (OPT) veneer and empty fruit bunch fibre mat. The resulting hybrid plywood produced was characterised. The physical, mechanical, thermal, and morphological properties of the hybrid plywood panels were investigated. The results obtained showed that the presence of OPA nanoparticles significantly affected the physical, mechanical, and thermal properties of the plywood panels. Significant improvements in dimension from water absorption and thickness swelling experiments were obtained for the plywood panels with the highest OPA nanoparticles loading in PF resin. The mechanical properties indicated that plywood composites showed improvement in flexural, shear, and impact properties until a certain loading of OPA nanoparticles in PF resin. Fracture surface morphology also showed the effectiveness of OPA nanoparticles in the reduction of layer breakage due to force and stress distribution. The thermal stability performance showed that PF filled OPA nanoparticles contributed to the thermal stability of the plywood panels. Therefore, the results obtained in this study showed that OPA nanoparticles certainly improved the characteristic of the hybrid plywood.
    Matched MeSH terms: Polymers
  15. Alakbari FS, Mohyaldinn ME, Muhsan AS, Hasan N, Ganat T
    Polymers (Basel), 2020 May 07;12(5).
    PMID: 32392770 DOI: 10.3390/polym12051069
    The chemical sand consolidation methods involve pumping of chemical materials, like furan resin and silicate non-polymer materials into unconsolidated sandstone formations, in order to minimize sand production with the fluids produced from the hydrocarbon reservoirs. The injected chemical material, predominantly polymer, bonds sand grains together, lead to higher compressive strength of the rock. Hence, less amounts of sand particles are entrained in the produced fluids. However, the effect of this bonding may impose a negative impact on the formation productivity due to the reduction in rock permeability. Therefore, it is always essential to select a chemical material that can provide the highest possible compressive strength with minimum permeability reduction. This review article discusses the chemical materials used for sand consolidation and presents an in-depth evaluation between these materials to serve as a screening tool that can assist in the selection of chemical sand consolidation material, which in turn, helps optimize the sand control performance. The review paper also highlights the progressive improvement in chemical sand consolidation methods, from using different types of polymers to nanoparticles utilization, as well as track the impact of the improvement in sand consolidation efficiency and production performance. Based on this review, the nanoparticle-related martials are highly recommended to be applied as sand consolidation agents, due to their ability to generate acceptable rock strength with insignificant reduction in rock permeability.
    Matched MeSH terms: Polymers
  16. Masoud F, Sapuan SM, Mohd Ariffin MKA, Nukman Y, Bayraktar E
    Polymers (Basel), 2020 Jun 11;12(6).
    PMID: 32545334 DOI: 10.3390/polym12061332
    Recently, natural fiber-reinforced polymers (NFRPs) have become important materials in many engineering applications; thus, to employ these materials some final industrial processes are needed, such as cutting, trimming, and drilling. Because of the heterogeneous nature of NFRPs, which differs from homogeneous materials such as metals and polymers, several defects have emerged when processing the NFRPs through traditional cutting methods such as high surface roughness and material damage at cutting zone. In order to overcome these challenges, unconventional cutting methods were considered. Unconventional cutting methods did not take into account the effects of cutting forces, which are the main cause of cutting defects in traditional cutting processes. The most prominent unconventional cutting processes are abrasive waterjet (AWJM) and laser beam (LBM) cutting technologies, which are actually applied for cutting various NFRPs. In this study, previously significant studies on cutting NFRPs by AWJM and LBM are discussed. The surface roughness, kerf taper, and heat-affected zone (HAZ) represent the target output parameters that are influenced and controlled by the input parameters of each process. However, this topic requires further studies on widening the range of material thickness and input parameter values.
    Matched MeSH terms: Polymers
  17. Ahmady A, Abu Samah NH
    Int J Pharm, 2021 Oct 25;608:121037.
    PMID: 34438009 DOI: 10.1016/j.ijpharm.2021.121037
    Bioadhesive polymers offer versatility to medical and pharmaceutical inventions. The incorporation of such materials to conventional dosage forms or medical devices may confer or improve the adhesivity of the bioadhesive systems, subsequently prolonging their residence time at the site of absorption or action and providing sustained release of actives with improved bioavailability and therapeutic outcomes. For decades, much focus has been put on scientific works to replace synthetic polymers with biopolymers with desirable functional properties. Gelatine has been considered one of the most promising biopolymers. Despite its biodegradability, biocompatibility and unique biological properties, gelatine exhibits poor mechanical and adhesive properties, limiting its end-use applications. The chemical modification and blending of gelatine with other biomaterials are strategies proposed to improve its bioadhesivity. Here we discuss the classical approaches involving a variety of polymer blends and composite systems containing gelatine, and gelatine modifications via thiolation, methacrylation, catechol conjugation, amination and other newly devised strategies. We highlight several of the latest studies on these strategies and their relevant findings.
    Matched MeSH terms: Biopolymers; Polymers
  18. Praveena SM, Shamsul Ariffin NI, Nafisyah AL
    Environ Pollut, 2022 Dec 15;315:120494.
    PMID: 36279991 DOI: 10.1016/j.envpol.2022.120494
    The World Health Organization noted that there is a growing need to determine the occurrence of microplastics in bottled water and its potential risks to human health. Thus, present study analyzes microplastics in eight major bottled water brands available in Malaysia and estimates the potential human exposure. Membrane filtration method followed by visual and polymer identifications were utilized to identify microplastics particles in these eight major bottled water brands. Microplastic concentrations in bottled water samples ranged from 8 to 22 particles/L, with an average of 11.7 ± 4.6 particles/L. Particle sizes ranging between 100 and 300 μm were dominant and accounted for approximately 31% in these bottled water brands. Fragments were the most identified microplastics in bottled water with transparent color being the most prevalent. The polyethylene terephthalate (PET) and polypropylene (PP) polymer types found in this study are consistent with prior results in that microplastics in bottled water are mainly derived from packaging materials and bottle caps. The Estimated Dietary Intake (EDI) for adults was between 0.068 and 0.19 particle/kg/day, while the EDI for children was between 0.089 and 0.25 particle/kg/day. Although consumption of bottled water was estimated to have low EDI values, the potential risks to human health should be heeded due to the presence of numerous plastic additives and residual monomers in these particles, which have the potential to increase inflammatory reactions and cytotoxicity in human body. Future studies should concentrate on understanding microplastics particles less than 1.5 μm and other associated factors (bottled material quality, consumption behaviour, bottled water storage conditions, and the frequency of bottle opening and closing) to further understand the effects of these microplastics particles on human toxicological aspects.
    Matched MeSH terms: Polymers
  19. Mohamed Haneef INH, Mohd Shaffiar N, Buys YF, Syed Shaharuddin SI, Abdul Hamid AM, Widiyati K
    J Biomed Mater Res B Appl Biomater, 2022 11;110(11):2574-2588.
    PMID: 35661579 DOI: 10.1002/jbm.b.35105
    Halloysite nanotubes (HNTs) have recently been the subject of extensive research as a reinforcing filler. HNT is a natural nanoclay, non-toxic and biocompatible, hence, applicable in biomedical fields. This review focuses on the mechanical, thermal, and functional properties of polymer nanocomposites with HNT as a reinforcing agent from an experimental and theoretical perspective. In addition, this review also highlights the recent applications of polymer/HNT nanocomposites in the biomedical fields.
    Matched MeSH terms: Polymers
  20. Asif K, Lock SSM, Taqvi SAA, Jusoh N, Yiin CL, Chin BLF
    Chemosphere, 2023 Jan;311(Pt 1):136936.
    PMID: 36273613 DOI: 10.1016/j.chemosphere.2022.136936
    Polysulfone (PSF) based mixed matrix membranes (MMMs) are one of the most broadly studied polymeric materials used for CO2/CH4 separation. The performance of existing PSF membranes encounters a bottleneck for widespread expansion in industrial applications due to the trade-off amongst permeability and selectivity. Membrane performance has been postulated to be enhanced via functionalization of filler at different weight percentages. Nonetheless, the preparation of functionalized MMMs without defects and its empirical study that exhibits improved CO2/CH4 separation performance is challenging at an experimental scale that needs prior knowledge of the compatibility between the filler and polymer. Molecular simulation approaches can be used to explore the effect of functionalization on MMM's gas transport properties at an atomic level without the challenges in the experimental study, however, they have received less scrutiny to date. In addition, most of the research has focused on pure gas studies while mixed gas transport properties that reflect real separation in functionalized silica/PSF MMMs are scarcely available. In this work, a molecular simulation computational framework has been developed to investigate the structural, physical properties and gas transport behavior of amine-functionalized silica/PSF-based MMMs. The effect of varying weight percentages (i.e., 15-30 wt.%) of amine-functionalized silica and gas concentrations (i.e., 30% CH4/CO2, 50% CH4/CO2, and 70% CH4/CO2) on physical and gas transport characteristics in amine-functionalized silica/PSF MMMs at 308.15 K and 1 atm has been investigated. Functionalization of silica nanoparticles was found to increase the diffusion and solubility coefficients, leading to an increase in the percentage enhancement of permeability and selectivity for amine-functionalized silica/PSF MMM by 566% and 56%, respectively, compared to silica/PSF-based MMMs at optimal weight percentage of 20 wt.%. The model's permeability differed by 7.1% under mixed gas conditions. The findings of this study could help to improve real CO2/CH4 separation in the future design and concept of functionalized MMMs using molecular simulation and empirical modeling strategies.
    Matched MeSH terms: Polymers
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