Submit to Polymers Review for Polymers Propose a Special Issue

Journal Menu

Journal Browser

Structural and Dynamic Properties of Synthetic Polymers in Complex Environments

Print Special Issue Flyer
Special Issue Editors
Special Issue Information
Keywords
Published Papers

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Processing and Engineering".

Deadline for manuscript submissions: closed (15 September 2023) | Viewed by 21880

Share This Special Issue

Special Issue Editors

Prof. Dr. Dapeng Wang

E-Mail Website
Guest Editor

State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
Interests: polymer; colloids & interfaces; diffusion; single-molecule microscopy; AI-assisted polymer informatics
Special Issues, Collections and Topics in MDPI journals

Dr. Guillermo Ahumada

E-Mail Website1 Website2
Guest Editor

Korean Institute for Basic Science, Center for Soft and Living Matter, Ulsan National Institute of Science and Technology, Ulsan 44919, Republic of Korea
Interests: inorganic; organic; polymer and organometallic chemistry; homogeneous catalysis (metathesis); electrochemistry (electrocatalysis and electropolymerization); single crystal X-ray crystallography (growth, measurement, and resolution of crystal structures); computational chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Aingle-molecule microscopy has revolutionized our ability to study phenomena at the individual molecular level with spatial resolution at the nanoscale. Single-molecule techniques have enabled us to understand details about, for example, the movement of molecular motors inside cells, mechanisms of macromoleuclar separation at chromatographic interfaces, and the diffusion in polymer melts. The state-of-the-art single-molecule fluorescence technique detects, quantifies, and analyzes diffusional behavior by identifying the position fluctuation of fluorescent molecules, leading to a profound understanding of many scientific areas that dramatically influence our daily lives. Combined with the rapid progress of single-molecule fluorescence microscopy with skillful chemical labeling, this method could also enable significant advances in polymer science.

Therefore, this Special Issue is devoted to the applications of single-molecule fluorescence microscopy for investigations of the structural and dynamic properties of synthetic polymers in various environments. Potential topics include but are not limited to the following:

Conformation
Configuration
Conjugated polymers
Diffusion in complex environments
Diffusion at interfaces
Monitoring polymerization
Single-molecule fluorescence microscopy
Single-chain morphology
Single-chain properties

Prof. Dr. Dapeng Wang
Dr. Guillermo Ahumada
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Polymers is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

conformation
configuration
conjugated polymers
diffusion in complex environments
diffusion at interfaces
monitoring polymerization
single-molecule fluorescence microscopy
single-chain morphology
single-chain properties

Published Papers (9 papers)

Download All Papers

Order results

Result details

Show export options Show export options

Select all

Export citation of selected articles as:

Research

Jump to: Review

20 pages, 8882 KiB

Open AccessArticle

Simulation of Dielectric Properties of Nanocomposites with Non-Uniform Filler Distribution

by Romeo C. Ciobanu, Radu F. Damian, Cristina M. Schreiner, Mihaela Aradoaei, Alexandru Sover and Ashok M. Raichur

Polymers 2023, 15(7), 1636; https://doi.org/10.3390/polym15071636 - 25 Mar 2023

Cited by 2 | Viewed by 1529

Abstract

Dielectric properties for nanocomposites with metallic fillers inside a polymer matrix were determined using CST STUDIO SUITE—Electromagnetic field simulation software followed by the free-space Nicolson–Ross–Weir procedure. The structure is randomly generated to simulate the intrinsic non-uniformity of real nanomaterials. Cubic insertions were equated to corresponding spherical particles in order to provide either the same volume index or the same exterior surface index. The energy concentration around the inserts and within the entire material was determined as useful information in practice in order to design materials tailored to avoid exceeding the field/temperature limit values. The paper successfully associated the dialectic measurements with the results from the computer simulations, which are mainly based on energetic effects in electromagnetic applications. The experimental results are comparable with the software simulation in terms of precision. The conclusions outline the practical applications of the method for both electromagnetic shielding and microwave domain/telecommunications applications. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Figure 1

13 pages, 1491 KiB

Open AccessArticle

Synthesis and Properties of Ethylene/propylene and Ethylene/propylene/5-ethylidene-2-norbornene Copolymers Obtained on Rac-Et(2-MeInd)₂ZrMe₂/Isobutylaluminium Aryloxide Catalytic Systems

by Evgeny E. Faingol’d, Stanislav L. Saratovskikh, Andrei N. Panin, Olga N. Babkina, Igor V. Zharkov, Artur T. Kapasharov, Maria L. Bubnova, Gennady V. Shilov and Natalia M. Bravaya

Polymers 2023, 15(3), 487; https://doi.org/10.3390/polym15030487 - 17 Jan 2023

Cited by 1 | Viewed by 1633

Abstract

Ethylene/propylene (E/P) and ethylene/propylene/5-ethylidene-2-norbornene (E/P/ENB) copolymers were obtained on rac-Et(2-MeInd)₂ZrMe₂ activated by a number of isobutylaluminium aryloxides: (2,6-^tBu₂PhO-)AlⁱBu₂ (1-DTBP) (2,6-^tBu₂,4-Me-PhO-)AlⁱBu₂ (1-BHT), (2,4,6-^tBu₂PhO-)AlⁱBu₂ (1-TTBP), (2,6-^tBu₂,4-Me-PhO-)₂AlⁱBu (2-BHT), (2,6-^tBu₂PhO-)2AlⁱBu (2-DTBP), [(2-Me,6-^tBu-C₆H₃O)AlⁱBu₂]₂ (1-MTBP), [(2,6-Ph₂-PhO)AlⁱBu₂]₂ (1-DPP). This study shows how the structure of an activator influences catalytic activity and polymer properties, such as the copolymer composition, molecular weight characteristics, and thermophysical and mechanical properties. It has been shown that both the introduction of a bulky substituent in the para-position of the aryloxy group and the additional aryloxy group in the structure of an activator lead to a significant decrease in activity of the catalytic system in all studied copolymerization processes. Moreover, activation by bulkier aryloxides leads to lower levels of comonomer insertion and gives rise to higher molecular weight polymers. Broad or multiple endothermic peaks with different values of melting points are observed on the DSC curves of the copolymers obtained with different catalytic systems. The DSC of the thermally fractionated samples makes it possible to reveal the heterogeneity of the copolymer microstructure, which manifests itself in the presence of a set of lamellar crystallites of different thickness. The results also present the mechanical properties of the copolymers, such as the tensile strength (σ), elongation at break (ε), and engineering strain (EL). The synthesized E/P and E/P/ENB copolymers contain about 1–4 wt.% of the sterically hindered phenols obtained in situ as a residue of the hydrolyzed activators in the course of reaction quenching. This determines the increased thermooxidative stability of the copolymers. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Graphical abstract

15 pages, 5785 KiB

Open AccessEditor’s ChoiceArticle

Synthesis of Optically and Redox Active Polyenaminones from Diamines and α,α’-Bis[(dimethylamino)methylidene]cyclohexanediones

by Urša Štanfel, Tomaž Kotnik, Sebastijan Ričko, Uroš Grošelj, Bogdan Štefane, Klemen Pirnat, Ema Žagar, Boštjan Genorio and Jurij Svete

Polymers 2022, 14(19), 4120; https://doi.org/10.3390/polym14194120 - 01 Oct 2022

Viewed by 1424

Abstract

New oligo- and polyenaminones with M_w ~ 7–50 KDa were prepared in high yields by transaminative amino-enaminone polymerization of regioisomeric bis[(dimethylamino)methylidene]cyclohexanediones with alkylene and phenylenediamines. The polymers obtained are practically insoluble in aqueous and organic solvents and exhibit film-forming properties, UV light absorption at wavelengths below 500 nm, and redox activity. These properties indicate a promising application potential of these polymers, which could find use in optical and optoelectronic applications and in energy storage devices. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Graphical abstract

14 pages, 3592 KiB

Open AccessArticle

Synthesis Characterization and Highly Protective Efficiency of Tetraglycidyloxy Pentanal Epoxy Prepolymer as a Potential Corrosion Inhibitor for Mild Steel in 1 M HCl Medium

by Rachid Hsissou, Redouane Lachhab, Anouar El Magri, Siham Echihi, Hamid Reza Vanaei, Mouhsine Galai, Mohamed Ebn Touhami and Mohamed Rafik

Polymers 2022, 14(15), 3100; https://doi.org/10.3390/polym14153100 - 30 Jul 2022

Cited by 5 | Viewed by 1376

Abstract

Anticorrosive protection efficiency of novel tetrafunctional epoxy prepolymer, namely 2,3,4,5-tetraglycidyloxy pentanal (TGP), for mild steel in 1 M HCl medium was assessed through potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS), contact angle (CA), adsorption isotherm model, temperature effect and thermodynamic parameters. The synthesized TGP was characterized and confirmed by Fourier transform infrared (FTIR) spectroscopy and nuclear magnetic resonance (NMR). The inhibitory efficiencies found at lower concentration of the prepolymer TGP were85% (PDP) and 87.17% (EIS). PDP measurement illustrated that the TGP behaved as a mixed-type inhibitor in the realized solution. SEM and EDS analysis showeda significant decrease in the corrosion of the MS surface in the presence of the inhibitory prepolymer compared with the blank (1 M HCl). Langmuir adsorption isotherm is the most acceptable modelto describe the TGP epoxy prepolymer on the MS area. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Figure 1

12 pages, 4410 KiB

Open AccessArticle

Prediction of the Glass Transition Temperature in Polyethylene Terephthalate/Polyethylene Vanillate (PET/PEV) Blends: A Molecular Dynamics Study

by Mattanun Sangkhawasi, Tawun Remsungnen, Alisa S. Vangnai, Phornphimon Maitarad and Thanyada Rungrotmongkol

Polymers 2022, 14(14), 2858; https://doi.org/10.3390/polym14142858 - 13 Jul 2022

Cited by 3 | Viewed by 2143

Abstract

Polyethylene terephthalate (PET) is one of the most common polymers used in industries. However, its accumulation in the environment is a health risk to humans and animals. Polyethylene vanillate (PEV) is a bio-based material with topological, mechanical, and thermal properties similar to PET, allowing it to be used as a PET replacement or blending material. This study aimed to investigate some structural and dynamical properties as well as the estimated glass transition temperature (T_g) of PET/PEV blended polymers by molecular dynamics (MD) simulations with an all-atom force field model. Four blended systems of PET/PEV with different composition ratios (4/1, 3/2, 2/3, and 1/4) were investigated and compared to the parent polymers, PET and PEV. The results show that the polymers with all blended ratios have T_g values around 344–347 K, which are not significantly different from each other and are close to the T_g of PET at 345 K. Among all the ratios, the 3/2 blended polymer showed the highest number of contacting atoms and possible hydrogen bonds between the two chain types. Moreover, the radial distribution results suggested the proper interactions in this system, which indicates that this is the most suitable ratio model for further experimental studies of the PET/PEV polymer blend. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Graphical abstract

19 pages, 3450 KiB

Open AccessFeature PaperArticle

Structure and Morphology of Crystalline Syndiotactic Polypropylene-Polyethylene Block Copolymers

by Rocco Di Girolamo, Alessandra Cicolella, Giovanni Talarico, Miriam Scoti, Fabio De Stefano, Angelo Giordano, Anna Malafronte and Claudio De Rosa

Polymers 2022, 14(8), 1534; https://doi.org/10.3390/polym14081534 - 10 Apr 2022

Cited by 9 | Viewed by 2193

Abstract

A study of the structure and morphology of diblock copolymers composed of crystallizable blocks of polyethylene (PE) and syndiotactic polypropylene (sPP) having different lengths is reported. In both analyzed samples, the PE block crystallizes first by cooling from the melt (at 130 °C) and the sPP block crystallizes after at a lower temperature. Small angle X-ray scattering (SAXS) recorded during cooling showed three correlation peaks at values of the scattering vector, q₁ = 0.12 nm⁻¹, q₂ = 0.24 nm⁻¹ and q₃ = 0.4 nm⁻¹, indicating development of a lamellar morphology, where lamellar domains of PE and sPP alternate, each domain containing stacks of crystalline lamellae of PE or sPP sandwiched by their own amorphous phase of PE or sPP. At temperatures higher than 120 °C, when only PE crystals are formed, the morphology is defined by the formation of stacks of PE lamellae (17 nm thick) alternating with amorphous layers and with a long period of nearly 52 nm. At lower temperatures, when crystals of sPP are also well-formed, the morphology is more complex. A model of the morphology at room temperature is proposed based on the correlation distances determined from the self-correlation functions extracted from the SAXS data. Lamellar domains of PE (41.5 nm thick) and sPP (8.2 nm thick) alternate, each domain containing stacks of crystalline lamellae sandwiched by their own amorphous phase, forming a global morphology having a total lamellar periodicity of 49.7 nm, characterized by alternating amorphous and crystalline layers, where the crystalline layers are alternatively made of stacks of PE lamellae (22 nm thick) and thinner sPP lamellae (only 3.5 nm thick). Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Graphical abstract

16 pages, 8026 KiB

Open AccessArticle

Improving Fracture Toughness of Tetrafunctional Epoxy with Functionalized 2D Molybdenum Disulfide Nanosheets

by Megha Sahu, Lakshmi Narasimhan, Ashok M. Raichur, Alexandru Sover, Romeo C. Ciobanu, Nicolae Lucanu and Mihaela Aradoaei

Polymers 2021, 13(24), 4440; https://doi.org/10.3390/polym13244440 - 17 Dec 2021

Cited by 10 | Viewed by 2254

Abstract

In this work, improved fracture toughness of tetra-functional epoxy polymer was obtained using two-dimensional (2H polytype) molybdenum disulfide (MoS₂) nano-platelets as a filler. Simultaneous in-situ exfoliation and functionalization of MoS₂ were achieved in the presence of cetyltrimethylammonium bromide (CTAB) via sonication. The aim was to improve the dispersion of MoS₂ nanoplatelets in epoxy and enhance the interfacial interaction between nanoplatelets and epoxy matrix. Epoxy nanocomposites with CTAB functionalized MoS₂ (f-MoS₂) nanoplatelets, ranging in content from 0.1 wt% up to 1 wt%, were fabricated. Modified MoS₂ improved the fracture properties (81%) of tetrafunctional epoxy nanocomposites. The flexural strength and compressive strength improved by 64% and 47%, respectively, with 0.25 wt% loading of f-MoS₂ nanoplatelets compared to neat epoxy. The addition of f-MoS₂ nanoplatelets enhanced the thermomechanical properties of epoxy. This work demonstrated the potential of organically modified MoS₂ nanoplatelets for improving the fracture and thermal behavior of tetrafunctional epoxy nanocomposites. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Figure 1

13 pages, 4815 KiB

Open AccessArticle

Feasibility of Producing Core-Shell Filaments through Fused Filament Fabrication

by Alexandru Sover, Vasile Ermolai, Ashok M. Raichur, Romeo Ciobanu, Mihaela Aradoaei and Nicolae Lucanu

Polymers 2021, 13(23), 4253; https://doi.org/10.3390/polym13234253 - 04 Dec 2021

Cited by 4 | Viewed by 2197

Abstract

Fused filament fabrication is a technology of additive manufacturing that uses molten thermoplastics for building parts. Due to the convenient shape of the raw material, a simple filament, the market offers a great variety of materials from simple to blends of compatible materials. However, finding a material with the desired properties can be difficult. Making it in-house or using a material manufacturer can be costly and time-consuming, especially when the optimum blend ratios are unknown or new design perspectives are tested. This paper presents an accessible method of producing core-shell filaments using material extrusion 3D printing. The printed filaments are characterised by a polycarbonate (PC) core and acryl butadiene styrene (ABS) shell with three material ratios. Their performance was investigated through printed samples. Additionally, the material mixing degree was studied by varying the extrusion temperature, nozzle feeding geometry, and layer thickness. The influence of all four factors was evaluated using a graphical representation of the main effects. The results showed that a core-shell filament can be processed using a 3D printer with a dual extrusion configuration and that the mechanical properties of the samples can be improved by varying the PC–ABS ratio. This research provides an accessible method for developing new hybrid filaments with a predesigned structure using a 3D printer. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Figure 1

Review

Jump to: Research

29 pages, 9355 KiB

Open AccessReview

Fluorescent Polymers Conspectus

by Guillermo Ahumada and Magdalena Borkowska

Polymers 2022, 14(6), 1118; https://doi.org/10.3390/polym14061118 - 11 Mar 2022

Cited by 16 | Viewed by 5823

Abstract

The development of luminescent materials is critical to humankind. The Nobel Prizes awarded in 2008 and 2010 for research on the development of green fluorescent proteins and super-resolved fluorescence imaging are proof of this (2014). Fluorescent probes, smart polymer machines, fluorescent chemosensors, fluorescence molecular thermometers, fluorescent imaging, drug delivery carriers, and other applications make fluorescent polymers (FPs) exciting materials. Two major branches can be distinguished in the field: (1) macromolecules with fluorophores in their structure and (2) aggregation-induced emission (AIE) FPs. In the first, the polymer (which may be conjugated) contains a fluorophore, conferring photoluminescent properties to the final material, offering tunable structures, robust mechanical properties, and low detection limits in sensing applications when compared to small-molecule or inorganic luminescent materials. In the latter, AIE FPs use a novel mode of fluorescence dependent on the aggregation state. AIE FP intra- and intermolecular interactions confer synergistic effects, improving their properties and performance over small molecules aggregation-induced, emission-based fluorescent materials (AIEgens). Despite their outstanding advantages (over classic polymers) of high emission efficiency, signal amplification, good processability, and multiple functionalization, AIE polymers have received less attention. This review examines some of the most significant advances in the broad field of FPs over the last six years, concluding with a general outlook and discussion of future challenges to promote advancements in these promising materials that can serve as a springboard for future innovation in the field. Full article

(This article belongs to the Special Issue Structural and Dynamic Properties of Synthetic Polymers in Complex Environments)

► Show Figures

Journal Menu

Journal Browser

Structural and Dynamic Properties of Synthetic Polymers in Complex Environments

Share This Special Issue

Special Issue Editors

Special Issue Information

Keywords

Published Papers (9 papers)

Research

Review

Further Information

Guidelines

MDPI Initiatives

Follow MDPI