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Journal articles on the topic 'Polymer chain conformation'

Author: Grafiati

Published: 8 February 2025

Last updated: 31 July 2025

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1

Qiu, Xing, Cunliang Hu, Jingqing Li, Dinghai Huang, and Shichun Jiang. "Role of conformation in crystal formation and transition of polybutene-1." CrystEngComm 21, no. 29 (2019): 4243–49. http://dx.doi.org/10.1039/c9ce00576e.

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Polymer conformation is the molecular basis underlying essentially all physical properties of polymers, and chain conformation and conformational energy play central roles in crystalline structure formations and structure transitions of polymers.

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2

Qin, Linlin, Linling Li, Ye Sha, et al. "Conformational Transitions of Polymer Chains in Solutions Characterized by Fluorescence Resonance Energy Transfer." Polymers 10, no. 9 (2018): 1007. http://dx.doi.org/10.3390/polym10091007.

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The critical overlap concentration C* is an important concept in polymer solutions and is defined as the boundary between dilute and semidilute regimes. In this study, the chain conformational changes of polystyrene (PS) with both high (Mn = 200,000 Da) and low (Mn = 13,000 Da) molecular weights in cis-decalin were compared by intrachain fluorescence resonance energy transfer (FRET). The random labeling of donor and acceptor chromophores strategy was employed for long PS chains, whereas chain-end labeling was used for short PS chains. By monitoring the spectroscopic intensity ratio between acc

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3

Kugimoto, Daisuke, Aoi Taniguchi, Masaki Kinoshita, and Isamu Akiba. "Effect of Molecular Architecture on Associating Behavior of Star-Like Amphiphilic Polymers Consisting of Plural Poly(ethylene oxide) and One Alkyl Chain." Polymers 13, no. 3 (2021): 460. http://dx.doi.org/10.3390/polym13030460.

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Associating behavior of star-like amphiphilic polymers consisting of two or three poly(ethylene oxide) (PEO) chains and one stearyl chain (C18) was investigated. Although the aggregation number (Nagg) of linear analogue of amphiphilic polymers monotonically decreased with increasing number-average molecular weight of PEO (Mn,PEO), the Nagg of micelles of star-like amphiphilic polymers with Mn,PEO = 550 g/mol was smaller than that with Mn,PEO = 750 g/mol, whereas that with Mn,PEO ≥ 750 g/mol showed general Mn,PEO dependence. Small-angle X-ray scattering analyses revealed that the occupied area

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4

Guo, Yingying, and Linqing Bai. "Dissipative Particle Dynamics Simulation for the Self-Assembly of Symmetric Pentablock Terpolymers Melts under 1D Confinements." Polymers 15, no. 19 (2023): 3982. http://dx.doi.org/10.3390/polym15193982.

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The phase behavior of CBABC pentablock terpolymers confined in thin films is investigated using the Dissipative Particle Dynamic method. Phase diagrams are constructed and used to reveal how chain length (i-block length), block composition and wall selectivity influence the self-assembly structures. Under neutral walls, four categories of morphologies, i.e., perpendicular lamellae, core–shell types of microstructures, complex networks, and half-domain morphologies, are identified with the change in i-block length. Ordered structures are more common at weak polymer–polymer interaction strengths

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5

Hu, Zhongjian, Ryan T. Haws, Zhuping Fei, et al. "Impact of backbone fluorination on nanoscale morphology and excitonic coupling in polythiophenes." Proceedings of the National Academy of Sciences 114, no. 20 (2017): 5113–18. http://dx.doi.org/10.1073/pnas.1620722114.

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Fluorination represents an important strategy in developing high-performance conjugated polymers for photovoltaic applications. Here, we use regioregular poly(3-ethylhexylthiophene) (P3EHT) and poly(3-ethylhexyl-4-fluorothiophene) (F-P3EHT) as simplified model materials, using single-molecule/aggregate spectroscopy and molecular dynamic simulations, to elucidate the impacts of backbone fluorination on morphology and excitonic coupling on the molecular scale. Despite its high regioregularity, regioregular P3EHT exhibits a rather broad distribution in polymer chain conformation due to the strong

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6

Sikorski, Andrzej. "Diffusion of Confined Polymer Chains." Defect and Diffusion Forum 237-240 (April 2005): 169–74. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.169.

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Simple lattice model of polymer systems was developed and studied using the Monte Carlo method. The model chains were star-branched with f = 3 arms and rings. The number of polymer segments in a chain was varied up to 800. The chains were built on a simple cubic lattice with the excluded volume interactions only (the athermal system). The polymers were confined between two parallel impenetrable walls with a set of irregular obstacles what can be treated as porous media. A Metropolis-like sampling algorithm employing local changes of chain conformation was used. The dynamic properties of the mo

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7

Kobayashi, Masamichi, and Takehito Kozasa. "Conformational Ordering Process on Physical Gelation of Syndiotactic Polystyrene/Solvent Systems Revealed by Time-Resolved Infrared Spectroscopy." Applied Spectroscopy 47, no. 9 (1993): 1417–24. http://dx.doi.org/10.1366/0003702934067450.

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Syndiotactic polystyrene (SPS) dissolved in various organic solvents forms stable gels. Infrared spectroscopic research shows that SPS molecules assume highly ordered TTGG conformation in gels, giving rise to many infrared bands characteristic of the regular TTGG sequences. The behavior of the conformational ordering is strongly dependent on the solvent and the temperature. The time evolution of the conformational order on gelation has been investigated for SPS/CHCl3 systems at various polymer concentrations and temperatures by time-resolved infrared spectroscopy. By the analysis of the rate o

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8

Bollas, S., k. Chrissopoulou, K.S. Andrikopoulos, G.A. Voyiatzis, and S.H. Anastasiadis. "Polymer Conformation under Confinement." Polymers 9, no. 2 (SI) (2017): art. no. 73. https://doi.org/10.3390/polym9020073.

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The conformation of polymer chains under confinement is investigated in intercalated polymer/layered silicate nanocomposites. Hydrophilic poly(ethylene oxide)/sodium montmorillonite, PEO/Na+ -MMT, hybrids were prepared utilizing melt intercalation with compositions where the polymer chains are mostly within the ~1 nm galleries of the inorganic material. The polymer chains are completely amorphous in all compositions even at temperatures where the bulk polymer is highly crystalline. Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) is utilized to investigate the co

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9

Cotton, J. P. "Conformation of a polymer chain in liquid crystalline polymers." Neutron News 1, no. 3 (1990): 22–23. http://dx.doi.org/10.1080/10448639008202040.

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10

Tanaka, Fumihiko, and Hideharu Ushiki. "Chain conformation in ternary polymer solutions." Macromolecules 21, no. 4 (1988): 1041–46. http://dx.doi.org/10.1021/ma00182a033.

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11

Jones, Ronald L., Sanat K. Kumar, Derek L. Ho, Robert M. Briber, and Thomas P. Russell. "Chain conformation in ultrathin polymer films." Nature 400, no. 6740 (1999): 146–49. http://dx.doi.org/10.1038/22080.

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12

Zulkifli, Ahmad. "Crystal Structure of Aromatic Polysulfones Containing Biphenylene Units." Advanced Materials Research 287-290 (July 2011): 1548–52. http://dx.doi.org/10.4028/www.scientific.net/amr.287-290.1548.

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Crystal structure of an aromatic polysulfones containing biphenylene units was elucidated using diffraction simulation technique extracted from X-ray data and interfaced with computational modeling. The chain conformations and configurations were derived from a synthesized oligomer and several analogous structure of past studies. It was found that the polymer adopt an orthorhombicCmcmwith the adjacent aromatic rings attached to the sulfone linkage orthogonal to each other whilst the biphenylene unit are coplanar. The chain conformation and crystal systems are consistent with the analogous poly

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13

Lu, Dan, Aihua Chai, Xiuxia Hu, et al. "Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting." International Journal of Molecular Sciences 25, no. 15 (2024): 8268. http://dx.doi.org/10.3390/ijms25158268.

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In this work, the conformational behaviors of ring polyelectrolyte in tetravalent salt solutions are discussed in detail through molecular dynamics simulation. For simplification, here we have neglected the effect of the twisting interaction, although it has been well known that both bending and twisting interactions play a deterministic in the steric conformation of a semiflexible ring polymer. The salt concentration CS and the bending energy b take a decisive role in the conformation of the ring polyelectrolyte (PE). Throughout our calculations, the b varies from b = 0 (freely joint chain) t

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14

Rikhia, Ghosh, Roy Susmita, and Bagchi Biman. "Fluctuation quench and hydrophobic collapse of polymers and biopolymers water-DMSO binary mixture at low DMSO concentration." Journal of Indian Chemical Society Vol. 88, Aug 2011 (2011): 1223–31. https://doi.org/10.5281/zenodo.5786101.

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SSCU, Indian Institute of Science, Bangalore-560 012, India <em>E-mail</em> : bbagchi@sscu. iisc.ernet. in; http/lliquid.sscu.iisc.ernet.in <em>Manuscript received 17 June 2011, accepted 20 June 2011</em> Binary mixtures have strong influence on activities of polymers and biopolymers even at low cosolvent concentration. Among the several aqueous binary mixtures studied, water-DMSO especially stands out for its unusual behavior at certain specific concentrations of DMSO. In the present work, we study the effect of water-DMSO binary mixture on polymers and biopolymers by taking a simple linear h

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15

Kochervinskii, V. V., A. Pavlov, N. Kozlova, N. Shmakova, D. A. Kiselev, and M. D. Malinkovich. "Influence of Metastable States on Electrophysical Properties in Ferroelectric Crystalline Polymers." Key Engineering Materials 605 (April 2014): 499–502. http://dx.doi.org/10.4028/www.scientific.net/kem.605.499.

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The poling and local piezoresponse mechanism has been investigated in ferroelectric polymers. Isotropic 94/6 composition vinylidenefluoride and tetraflouroethylene copolymer films is formed from acetone at room temperature by slow evaporation of solvent. The copolymer crystallization results in metastability (nonequilibre) form at high overcooling temperatures. IR spectroscopy shows occurrence of isomers with conformation TGTG-, T3GT3G-and (TT)n. The local piezoresponse shows that ferroelectric domains include crystals areas as well as nonordered phase. After annealing by heating to 150 oC was

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16

Park, Juhae, Sung-Gyu Lee, Yannick Vesters, et al. "Molecular Modeling of EUV Photoresist Revealing the Effect of Chain Conformation on Line-Edge Roughness Formation." Polymers 11, no. 12 (2019): 1923. http://dx.doi.org/10.3390/polym11121923.

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Extreme ultraviolet lithography (EUVL) is a leading-edge technology for pattern miniaturization and the production of advanced electronic devices. One of the current critical challenges for further scaling down the technology is reducing the line-edge roughness (LER) of the final patterns while simultaneously maintaining high resolution and sensitivity. As the target sizes of features and LER become closer to the polymer size, polymer chain conformations and their distribution should be considered to understand the primary sources of LER. Here, we proposed a new approach of EUV photoresist mod

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17

MU, DAN, JIAN-QUAN LI, SONG WANG, and JIAN-FENG WANG. "MOLECULAR DYNAMICS SIMULATION OF THE ADSORPTION AND DIFFUSION OF A SINGLE POLYDIMETHYLSILOXANE POLYMER CHAIN ON A SILICON (111) SURFACE." Journal of Theoretical and Computational Chemistry 11, no. 04 (2012): 697–708. http://dx.doi.org/10.1142/s0219633612500460.

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The adsorption of polydimethylsiloxane (PDMS) single chain with different chain lengths on a silicon (111) surface were studied by molecular dynamics simulations. The relative dielectric constant was selected to be 1 and 78.0 to mimic in vacuum and in solution environment, respectively. The chains were all present as two-dimensional (2D) adsorption conformation on the surface but different conformations and dynamic properties were found in the two absolutely different environments. The relationship between the adsorption energy of the different chain lengths and the degree of polymerization fo

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18

Ostolska, Iwona, and Małgorzata Wiśniewska. "Influence of Selected Factors on the Adsorption Layer Structure of Polyamino Acids and Their Block Copolymers at the Solid–Aqueous Solution Interface." Molecules 28, no. 24 (2023): 8080. http://dx.doi.org/10.3390/molecules28248080.

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The adsorption mechanism of different polymers containing ionic polyamino acids monomers in the chain structure at the solid–liquid interface was investigated. Initially, the influence of molecular weight and solution pH on simple polyamino acids (poly(L-aspartic acid) and poly(L-lysine) binding was determined. Considering the obtained dependencies, the polymer adsorption layer conformation was proposed in the systems containing block copolymers (both diblock and symmetrical triblock) consisting of polypeptide as well as poly(ethylene glycol) fragments. The presented studies focused on the app

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19

Chen, Hao, Xuhong Chen, Huiying Chen, et al. "Molecular Interaction, Chain Conformation, and Rheological Modification during Electrospinning of Hyaluronic Acid Aqueous Solution." Membranes 10, no. 9 (2020): 217. http://dx.doi.org/10.3390/membranes10090217.

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Most of natural water-soluble polymers are difficult to electrospin due to their specific chain conformation in aqueous solution, which limits their applications. This study investigated the effects of polyethylene oxide (PEO) on the electrospinning of hyaluronic acid (HA) in HA/PEO aqueous solutions. The rheological properties of HA/PEO aqueous solutions showed polymer chain entanglement in HA was the essential factor affecting its electrospinnability. Wide-angle X-ray scattering and differential scanning calorimetry analyses of a PEO crystal showed different crystallization behavior of the P

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20

Wen, Xiaohui, Deyin Wang, Jiajun Tang, and Zhiyong Yang. "A Trefoil Knot Polymer Chain Translocates through a Funnel-like Channel: A Multi-Particle Collision Dynamics Study." Polymers 14, no. 6 (2022): 1164. http://dx.doi.org/10.3390/polym14061164.

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With combining multi-particle collision dynamics (MPCD) for the solvent and molecular dynamics (MD) for the polymer chains, we have studied the conformation and untying behaviors of a trefoil knot polymer chain translocated through a confined funnel-like channel. For the trefoil knot chain, we found that the untying knot behavior mostly happens during the translocation process, and the translocation behavior of linear chains is also simulated as a comparison. Some characteristics of the trefoil knot chain during translocation process, such as average gyration radius <Rg> and the average

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21

Maksimova, O. G., A. V. Maksimov, and A. I. Moiseeva. "Influence of interface on the formation process of polymer coatings on metal." Journal of Advanced Dielectrics 06, no. 01 (2016): 1650004. http://dx.doi.org/10.1142/s2010135x16500041.

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The purpose of this work is in development of the model that allows to investigate the conformations of macromolecules near the interface “dielectric-metal” depending on the conditions of formation of the polymer coating. In the modified model of “sticky tape”, one part of macromolecule is anchored to the metal surface while the other can be elongated due to effective mean (molecular) field of dipolar type formed by free ends of other chains. The dynamic Monte-Carlo method for Langmuir’s model is used for calculation of adhesion force taking into account the interaction energy of monomers with

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22

Russo, Daniela, Andrea de Angelis, Christopher J. Garvey, Frederick R. Wurm, Marie-Sousai Appavou, and Sylvain Prevost. "Effect of Polymer Chain Density on Protein–Polymer Conjugate Conformation." Biomacromolecules 20, no. 5 (2019): 1944–55. http://dx.doi.org/10.1021/acs.biomac.9b00184.

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23

Nitneth, David T., James A. Hutchison, and Kenneth P. Ghiggino. "Excitonic Processes in a Conjugated Polyelectrolyte Complex." Australian Journal of Chemistry 73, no. 3 (2020): 164. http://dx.doi.org/10.1071/ch19308.

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In aqueous solution, a di-sulfonated phenylenevinylene polymer (DPS-PPV) forms a complex with non-ionic poly(vinyl alcohol) (PVA) leading to absorption spectroscopic shifts and a dramatic (6-fold) increase in DPS-PPV fluorescence intensity. Spectroscopic investigations demonstrate that the complexation with PVA and other neutral polymers results in conformational changes in the DPS-PPV chains that lead to the removal of non-fluorescent energy traps and results in the observed increase in fluorescence in the bulk solution. Single molecule fluorescence measurements of DPS-PPV chains dispersed on

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24

Cui, Lin Lin, and Hua Nan Guan. "Computer Simulation on Conformation Properties of Polymer Chain." Applied Mechanics and Materials 341-342 (July 2013): 195–98. http://dx.doi.org/10.4028/www.scientific.net/amm.341-342.195.

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The author adopts Monte Carlo compute method to simulate the linear polymer chain lattice model in multiple chain systems of chain lengthn=20, 50, 100 while the volume fraction Φ=0.125, and makes a research on the variational situation of the size (measured with the mean-square end-to-end distance <R2> and the mean-square radius of gyration <S2>), shape (measured with the mean asphericity factor <A>) with changing of the interaction energy between solvent molecule and polymer chain segment molecule εPS. Results indicate <R2>, <S2> and <A> have the changing r

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25

Jacobson, David R., Dustin B. McIntosh, Mark J. Stevens, Michael Rubinstein, and Omar A. Saleh. "Single-stranded nucleic acid elasticity arises from internal electrostatic tension." Proceedings of the National Academy of Sciences 114, no. 20 (2017): 5095–100. http://dx.doi.org/10.1073/pnas.1701132114.

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Understanding of the conformational ensemble of flexible polyelectrolytes, such as single-stranded nucleic acids (ssNAs), is complicated by the interplay of chain backbone entropy and salt-dependent electrostatic repulsions. Molecular elasticity measurements are sensitive probes of the statistical conformation of polymers and have elucidated ssNA conformation at low force, where electrostatic repulsion leads to a strong excluded volume effect, and at high force, where details of the backbone structure become important. Here, we report measurements of ssDNA and ssRNA elasticity in the intermedi

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26

Xiao, Hongyi, Xinghua Zhang, and Dadong Yan. "A Local-Exchange Model of Folding Chain Surface of Polymer Crystal Based on Worm-Like Chain Model within Single-Chain in Mean-Field Theory." Polymers 12, no. 11 (2020): 2555. http://dx.doi.org/10.3390/polym12112555.

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The structure of amorphous layer of folding surface controls the properties of the polymer lamellar crystal, which consists of chains with a loop conformation. The surface tension depends on the length and the distance between two injection points of the loop which involving the reptation motion and lateral exchange motion of the stems. In the present work, a local-exchange motion model based on the worm-like chain model is developed to investigate the effects of lateral motion of stems on the release the surface tension. The optimal distance between two injection points is determined by the b

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27

Gafurov, Ulmas. "Modelling of Elastic Modulus and Molecular Structure Interrelationship of an Oriented Crystalline Polymer." Solid State Phenomena 139 (April 2008): 119–22. http://dx.doi.org/10.4028/www.scientific.net/ssp.139.119.

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A modeling method is suggested on the basis of measurable structural and deformation parameters to estimate the interrelation between the interconnecting chains over amorphous segments conformation structure distribution and the elastic modulus in tension experimental value for a loaded oriented linear amorphous- crystalline polymer. Macromolecule chain pulling out value of polymer crystallite was defined using the Frenkel-Kontorowa’s dislocation model .

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28

Potai, Ruttayapon, and Rakchart Traiphol. "Effect of Solvents on Controlling the Photophysical Properties of Poly[2-Methoxy-5-(2’-Ethylhexyloxy)-1,4-Phenylenevinylene] (MEH-PPV) Nanoparticle." Nano Hybrids and Composites 16 (June 2017): 56–59. http://dx.doi.org/10.4028/www.scientific.net/nhc.16.56.

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Abstract. This study focuses on detailed investigation of solvent effects on controlling photophysical properties of poly [2-methoxy,5-(2’-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) nanoparticles prepared by using reprecipitation techniques. In this work, the MEH-PPV polymer is dissolved in various solvents, including chlorobenzene (CRB), toluene (TOL) and pyridine (PYR). The polymers in solutions adopt different conformations (i.e. collapsed or extended coils), depending on local polymer-solvent interactions. The differences of chain conformations cause the variations of chain packing wi

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29

Wiśniewska, Małgorzata. "Temperature effects on the adsorption of polyvinyl alcohol on silica." Open Chemistry 10, no. 4 (2012): 1236–44. http://dx.doi.org/10.2478/s11532-012-0044-z.

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AbstractThe influence of temperature on the adsorption of polyvinyl alcohol (PVA) on a silica surface was studied from 15–35°C. The structure of the polymer adsorption layer was determined from spectrophotometric, viscosity and thermogravimetric measurements. The amount of PVA adsorbed, macromolecules’ conformation in solution, thickness of the polymer adsorption layer, and changes in the heating curve of SiO2 with adsorbed polymer were determined. Temperature influences the PVA chain conformation in solution and the structure of the polymer adsorption layer. A temperature rise causes relaxati

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30

Carrillo, Jan-Michael Y., Wei-Ren Chen, Zhe Wang, Bobby G. Sumpter, and Yangyang Wang. "Chain conformation of polymer melts with associating groups." Journal of Physics Communications 3, no. 3 (2019): 035007. http://dx.doi.org/10.1088/2399-6528/ab09bb.

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31

Li, Xuejuan, Dan Wang, and Tareq Saeed. "MULTI-SCALE NUMERICAL APPROACH TO THE POLYMER FILLING PROCESS IN THE WELD LINE REGION." Facta Universitatis, Series: Mechanical Engineering 20, no. 2 (2022): 363. http://dx.doi.org/10.22190/fume220131021l.

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In this paper, a multi-scale coupling mathematical model is suggested for simulating the polymer filling process in the weld line region on a micro scale. The model considers two aspects: one is the coupling model based on stresses in the whole cavity region; the other is the multi-scale coupling model of continuum mechanics (CM) and the molecular dynamics (MD) in a weldline region. A weak variational formulation is constructed for the finite element method (FEM), which is coupled with the Verlet algorithm based on the domain decomposition technique. Meanwhile, an overlap region is designed so

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32

Huang, Jian-Hua, Dan-Dan Sun, and Rong-Xing Lu. "Glass transition and dynamics of semiflexible polymer brushes." Physical Chemistry Chemical Physics 23, no. 25 (2021): 13895–904. http://dx.doi.org/10.1039/d1cp00089f.

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Kojima, Chie, Ugir Hossain Sk, Daichi Fukushima, et al. "Effect of main chain conformation on thermosensitivity in elastin-like peptide-grafted polylysine." RSC Advances 5, no. 127 (2015): 104900–104906. http://dx.doi.org/10.1039/c5ra23865j.

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Lee, Jaekyo, Youngmu Kim, Shalik Ram Joshi, Min Sang Kwon, and Gun-Ho Kim. "Tacticity-dependent cross-plane thermal conductivity in molecularly engineered amorphous polymers." Polymer Chemistry 12, no. 7 (2021): 975–82. http://dx.doi.org/10.1039/d0py01549k.

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The present study demonstrated that not only chain extension but also torsion of repeating units and steric hindrance should be considered when designing a thermally conductive polymer by extended chain conformation.

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Prajinaru, Mihaela, Natalia Hurduc, Silvia Alazaroaie, Otilia Catanescu, and Nicolae Hurduc. "Thermal and kinetic characteristics in non-isothermal conditions of some aromatic copolyethers containing an octomethylenic spacer." Open Chemistry 1, no. 4 (2003): 387–401. http://dx.doi.org/10.2478/bf02475224.

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AbstractThe paper presents a study of the thermal properties of some aromatic polyethers obtained by phase trasfer catalysis technique. The polymes were synthesized starting from 1,8-dichloro-octane and various bisphenols: 4,4′-dihydroxyazobenzene, 4,4′-dihydroxydiphenyl, bisphenol A and 2,7-dihydroxynaphthalene. Molecular simulations were performed in order to obtain supplementary information concerning the chain conformation and inter-chain interactions. The presence of azobenzenic moieties induces high phase transition values, situated near the thermal stability limit. Therefore, the thermo

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36

Najmina, Mazaya, Shingo Kobayashi, Rena Shimazui, et al. "A Stealthiness Evaluation of Main Chain Carboxybetaine Polymer Modified into Liposome." Pharmaceutics 16, no. 10 (2024): 1271. http://dx.doi.org/10.3390/pharmaceutics16101271.

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Background: Acrylamide polymers with zwitterionic carboxybetaine (CB) side groups have attracted attention as stealth polymers that do not induce antibodies when conjugated to proteins. However, they induce antibodies when modified onto liposomes. We hypothesized that antibodies are produced against polymer backbones rather than CB side groups. Objectives: In this study, we designed and synthesized a polymer employing CB in its main chain, poly(N-acetic acid-N-methyl-propyleneimine) (PAMPI), and evaluated the blood retention of PAMPI-modified liposomes in mice. Results: The non-fouling nature

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Evans, Anthony R., Eric S. G. Shaqfeh, and Paul L. Frattini. "Observations of polymer conformation during flow through a fixed fibre bed." Journal of Fluid Mechanics 281 (December 25, 1994): 319–56. http://dx.doi.org/10.1017/s0022112094003137.

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Linear birefringence measurements of dilute and semi-dilute polyisobutylene solutions following flow through a disordered fixed fibre bed of 2.47% solids volume fraction provide both transient and steady measurements of chain deformation. Our results indicate that the flexible polyisobutylene polymers undergo a large conformation change, stretching in the direction of the average flow. This occurs even though the average flow in the bed is a plug flow which would not cause any polymer stretch by itself. The polymer stretch or conformation change increases with the number of chain interactions

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Weiland, Lisa Mauck, Emily K. Lada, Ralph C. Smith, and Donald J. Leo. "Application of Rotational Isomeric State Theory to Ionic Polymer Stiffness Predictions." Journal of Materials Research 20, no. 9 (2005): 2443–55. http://dx.doi.org/10.1557/jmr.2005.0292.

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Presently, rotational isomeric state (RIS) theory directly addresses polymer chain conformation as it relates to mechanical response trends. The primary goal of this work is to explore the adaptation of this methodology to the prediction of material stiffness. This multiscale modeling approach relies on ionomer chain conformation and polymer morphology and thus has potential as both a predictive modeling tool and a synthesis guide. The Mark–Curro Monte Carlo methodology is applied to generate a statistically valid number of end-to-end chain lengths via RIS theory for four solvated Nafion® case

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Capaldi, Xavier, Zezhou Liu, Yuning Zhang, Lili Zeng, Rodrigo Reyes-Lamothe, and Walter Reisner. "Probing the organization and dynamics of two DNA chains trapped in a nanofluidic cavity." Soft Matter 14, no. 42 (2018): 8455–65. http://dx.doi.org/10.1039/c8sm01444b.

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We determine the degree of partitioning/mixing in two-polymer confinement in nanofluidic cavities and assess coupled diffusion of the chain center-of-mass positions finding that polymer dynamics and conformation are strongly affected.

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Neumann, S. Ephraim, Junpyo Kwon, Cornelius Gropp, et al. "The propensity for covalent organic frameworks to template polymer entanglement." Science 383, no. 6689 (2024): 1337–43. http://dx.doi.org/10.1126/science.adf2573.

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The introduction of molecularly woven three-dimensional (3D) covalent organic framework (COF) crystals into polymers of varying types invokes different forms of contact between filler and polymer. Whereas the combination of woven COFs with amorphous and brittle polymethyl methacrylate results in surface interactions, the use of the liquid-crystalline polymer polyimide induces the formation of polymer-COF junctions. These junctions are generated by the threading of polymer chains through the pores of the nanocrystals, thus allowing for spatial arrangement of polymer strands. This offers a progr

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Gao, Fei, and Lisa M. Weiland. "A multiscale model applied to ionic polymer stiffness prediction." Journal of Materials Research 23, no. 3 (2008): 833–41. http://dx.doi.org/10.1557/jmr.2008.0096.

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A multiscale modeling approach applied to the stiffness prediction of polymers with high cross-link density is discussed. The material of focus in this work is the ionic polymer Nafion®. The approach applies rotational isomeric state theory in combination with a Monte Carlo methodology to develop a simulation model for polymer chain conformation. From this a large number of end-to-end chain lengths between cross links are generated; the probability density function of these lengths is estimated with the most appropriate Johnson family method. This estimation is used in a Boltzmann statistical

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Das, S., M. Lange, and A. Cacciuto. "Designing active colloidal folders." Journal of Chemical Physics 156, no. 9 (2022): 094901. http://dx.doi.org/10.1063/5.0081071.

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Can active forces be exploited to drive the consistent collapse of an active polymer into a folded structure? In this paper, we introduce and perform numerical simulations of a simple model of active colloidal folders and show that a judicious inclusion of active forces into a stiff colloidal chain can generate designable and reconfigurable two-dimensional folded structures. The key feature is to organize the forces perpendicular to the chain backbone according to specific patterns (sequences). We characterize the physical properties of this model and perform, using a number of numerical techn

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Armistead, J. P., R. R. Price, O. K. Kim, and L. S. Choi. "Shear-induced changes in chain configuration of poly(acrylic acid) in dilute solution." Proceedings, annual meeting, Electron Microscopy Society of America 47 (August 6, 1989): 698–99. http://dx.doi.org/10.1017/s0424820100155463.

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Small amounts (less than 30 ppm) of polymer dissolved in solution may significantly reduce the work required to pump fluids through a pipe at a given rate. In other words, the drag of the solution along the pipe walls is reduced. Drag reduction by polymers has been well characterized, however the molecular origin of the phenomena is not fully understood. Polymers that exhibit drag reduction characteristics typically have high molecular weight, have predominantly linear, flexible chains, and have an expanded molecular configuration in solution.Work in this laboratory has focused on the drag red

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Wasem Klein, Felipe, Jean-Philippe Lamps, Matthieu Paillet, Pierre Petit, and Philippe J. Mésini. "Synthesis of a Poly(3-dodecylthiophene) Bearing Aniline Groups for the Covalent Functionalization of Carbon Nanotubes." Reactions 2, no. 4 (2021): 473–85. http://dx.doi.org/10.3390/reactions2040030.

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The functionalization of carbon nanotubes by polymers necessitates two steps, first their modification by oxidizing them or by covalently attaching small compounds to them, then the growth of the polymer chains from these anchors or their grafting onto them. In order to better control the process and the rate of functionalization, we develop polymers able to covalently react with the carbon nanotubes by their side chains in one step. We describe the synthesis of a copolymer of dodecylthiophene and its analogue bearing an aniline group at the end of the dodecyl side chain. This copolymer can fu

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Mogbojuri, Gabriel, Shaghayegh Abtahi, Nayanathara Hendeniya, and Boyce Chang. "The Effects of Chain Conformation and Nanostructure on the Dielectric Properties of Polymers." Materials 18, no. 1 (2025): 198. https://doi.org/10.3390/ma18010198.

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The dielectric properties of polymers play a pivotal role in the development of advanced materials for energy storage, electronics, and insulation. This review comprehensively explores the critical relationship between polymer chain conformation, nanostructure, and dielectric properties, focusing on parameters such as dielectric constant, dielectric loss, and dielectric breakdown strength. It highlights how factors like chain rigidity, free volume, molecular alignment, and interfacial effects significantly influence dielectric performance. Special emphasis is placed on the impact of nanofiller

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Cui, Lin Lin, and Hua Nan Guan. "Monte Carlo Simulation on Conformation Properties of Polymer Multiple Chain System." Advanced Materials Research 734-737 (August 2013): 3141–44. http://dx.doi.org/10.4028/www.scientific.net/amr.734-737.3141.

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The author adopts Monte Carlo compute method to simulate the linear polymer chain lattice model in multiple chain systems of different volume fraction Φ while chain lengthn=50, and makes a research on the variational situation of the size (measured with the mean-square end-to-end distance <R2> and the mean-square radius of gyration <S2>), shape (measured with the mean asphericity factor ) with changing of the interaction energy between solvent molecule and polymer chain segment moleculeεPS. Results indicate <R2>, <S2> and have the changing rules that they become small w

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Štokrová, Štěpánka, Jan Pospíšek, Jaroslav Šponar, and Karel Bláha. "Synthesis and conformation of sequential basic polypeptides with branched and linear side chains." Collection of Czechoslovak Chemical Communications 50, no. 12 (1985): 2925–36. http://dx.doi.org/10.1135/cccc19852925.

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Polypeptides (Lys-X-Ala)n and (Lys-X-Gly)n in which X represents residues of isoleucine and norleucine, respectively, and polypeptide (Tle-Lys-Ala)n, were synthesized via polymerization of 1-hydroxysuccinimidyl esters of the appropriate tripeptides to complete previously studied series. Circular dichroism (CD) spectra of the respective polymers were measured as a function of pH and salt concentration of the medium. The results were correlated with those obtained previously with the same series containing different amino acid residues at the X-position. The helix forming ability of the polypept

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Liu, Gongping, Wei-Song Hung, Jie Shen, et al. "Mixed matrix membranes with molecular-interaction-driven tunable free volumes for efficient bio-fuel recovery." Journal of Materials Chemistry A 3, no. 8 (2015): 4510–21. http://dx.doi.org/10.1039/c4ta05881j.

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Molecular interactions were constructed to control polymer chain conformation to fabricate mixed matrix membranes with tunable free volumes, exhibiting simultaneously improved butanol permeability and selectivity.

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Hurduc, Nicolae, Cristina Damian, Anca Tarus, Violeta Toader, and Natalia Hurduc. "Thermal behavior of some aromatic copolyethers containing a propylenic spacer." Open Chemistry 3, no. 1 (2005): 53–62. http://dx.doi.org/10.2478/bf02476237.

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AbstractThe main objective of this paper is to study the thermal stability of some aromatic copolyethers containing a propylenic spacer. Some of the investigated copolyethers displayed a liquid crystalline (LC) behavior, with the presence of the mesogenic groups in the main chain, inducing high values of the thermal transition temperatures. As a consequence, a thermal stability study was necessary to establish the maximum temperature value for the LC behavior characterization. A thermal degradation mechanism is proposed, taking into consideration the azobenzenic unit as the weakest link in the

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Лебедев, B. T., H. П. Евлампиева, M. B. Бермешев та A. A. Сжогина. "Структура пленок кремнийзамещенного политрициклононена по данным малоуглового рассеяния нейтронов". Физика твердого тела 60, № 10 (2018): 2051. http://dx.doi.org/10.21883/ftt.2018.10.46538.044.

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AbstractPolytricyclononenes are new polymers having high permeability values not only for atmospheric gases, but also gaseous hydrocarbons. Thin films (≤100 μm) used in gas-separation membrane technologies are necessary to be studied to improve the gas transport properties of these polymers. The structure of polytricyclononene films with two vicinal side substituents Si(CH_3)_3 in a monomer unit synthesized via additive polymerization scheme is studied in this work by a small-angle neutron scattering method. As a whole, the amorphous film has a local orientation order due to chain fragments wi

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