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  1. Article: Structure of Strongly Adsorbed Polymer Systems: A Computer Simulation Study.

    Olczyk, Patrycja / Sikorski, Andrzej

    Materials (Basel, Switzerland)

    2023  Volume 16, Issue 17

    Abstract: The structure of very thin polymer films formed by strongly adsorbed macromolecules was studied by computer simulation. A coarse-grained model of strictly two-dimensional polymer systems was built, and its properties determined by an efficient Monte ... ...

    Abstract The structure of very thin polymer films formed by strongly adsorbed macromolecules was studied by computer simulation. A coarse-grained model of strictly two-dimensional polymer systems was built, and its properties determined by an efficient Monte Carlo simulation algorithm. Properties of the model system were determined by means of Monte Carlo simulations with a sampling algorithm that combines Verdier-Stockmayer, pivot and reputation moves. The effects of temperature, chain length and polymer concentration on the macromolecular structure were investigated. It was shown that at low temperatures, the chain size increases with the concentration, that is, inversely with high temperatures. This behavior should be explained by the influence of inter-chain interactions.
    Language English
    Publishing date 2023-08-23
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma16175755
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: The Influence of Constraints on Gelation in a Controlling/Living Copolymerization Process.

    Polanowski, Piotr / Sikorski, Andrzej

    International journal of molecular sciences

    2023  Volume 24, Issue 3

    Abstract: We developed a simple model of the copolymerization process in the formation of crosslinked macromolecular systems. A living copolymerization was carried out for free chains, in bulk and in a slit, as well as for grafted chains in a slit. In addition, ... ...

    Abstract We developed a simple model of the copolymerization process in the formation of crosslinked macromolecular systems. A living copolymerization was carried out for free chains, in bulk and in a slit, as well as for grafted chains in a slit. In addition, polymer 2D brushes were placed in a slit with initiator molecules attached to one of the confining walls. Coarse-grained chains were embedded in the vertices of a face-centered cubic lattice with the excluded volume interactions. The simulations of the copolymerization processes were performed using the Dynamic Lattice Liquid algorithm, a version of the Monte Carlo method. The influence of the initial initiator to cross-linker ratio, slit width and grafting on the polymerization and on the gelation was examined. It was also shown that the influence of a confining slit was rather small, while the grafting of chains affected the location of the gel pint significantly.
    MeSH term(s) Computer Simulation ; Polymerization ; Polymers ; Macromolecular Substances ; Algorithms
    Chemical Substances Polymers ; Macromolecular Substances
    Language English
    Publishing date 2023-01-31
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms24032701
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Coil-globule transition in two-dimensional polymer chains in an explicit solvent.

    Polanowski, Piotr / Sikorski, Andrzej

    Soft matter

    2023  Volume 19, Issue 41, Page(s) 7979–7987

    Abstract: The structure of two-dimensional polymer chains in a solvent at different temperatures is still far from being fully understood. Computer simulations of high-density macromolecular systems require the use of appropriate algorithms, and therefore the ... ...

    Abstract The structure of two-dimensional polymer chains in a solvent at different temperatures is still far from being fully understood. Computer simulations of high-density macromolecular systems require the use of appropriate algorithms, and therefore the simulations were carried out using the Cooperative Motion Algorithm. The polymer model studied was exactly two-dimensional, coarse-grained and based on a triangular lattice. The theta temperature and temperature of coil-to-globule transition, and critical exponents were determined. The differences between the structure of such a disk and that of a chain in a dense polymer liquid were shown.
    Language English
    Publishing date 2023-10-25
    Publishing country England
    Document type Journal Article
    ZDB-ID 2191476-X
    ISSN 1744-6848 ; 1744-683X
    ISSN (online) 1744-6848
    ISSN 1744-683X
    DOI 10.1039/d3sm00975k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: The structure of polymer brushes: the transition from dilute to dense systems: a computer simulation study.

    Polanowski, Piotr / Sikorski, Andrzej

    Soft matter

    2021  Volume 17, Issue 46, Page(s) 10516–10526

    Abstract: Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed and the Cooperative Motion Algorithm was employed to model the polymerization process 'grafted from' and to study the ... ...

    Abstract Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed and the Cooperative Motion Algorithm was employed to model the polymerization process 'grafted from' and to study the structure of a brush immersed in a good solvent. The structure of brushes was determined as a function of the chain length and the grafting density. The influence of these parameters on the scaling properties of the brush was presented and discussed. A thorough analysis of the distribution of concentrations of the polymer segments and the distribution of chain free ends was also carried out. The analysis of the depth of penetration of the low molecular weight solvent into the brush area showed that the main factor determining the penetration is the grafting density. Good agreement between the simulation results and theoretical predictions is observed, especially for longer chains and higher grafting density. The origin of small quantitative differences between the simulation and theoretical results is discussed.
    Language English
    Publishing date 2021-12-01
    Publishing country England
    Document type Journal Article
    ZDB-ID 2191476-X
    ISSN 1744-6848 ; 1744-683X
    ISSN (online) 1744-6848
    ISSN 1744-683X
    DOI 10.1039/d1sm01306h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Star Polymers vs. Dendrimers: Studies of the Synthesis Based on Computer Simulations.

    Polanowski, Piotr / Hałagan, Krzysztof / Sikorski, Andrzej

    Polymers

    2022  Volume 14, Issue 13

    Abstract: A generic model was developed for studies of the polymerization process of regular branched macromolecules. Monte Carlo simulations were performed employing the Dynamic Lattice Liquid algorithm to study this process. A core-first methodology was used in ... ...

    Abstract A generic model was developed for studies of the polymerization process of regular branched macromolecules. Monte Carlo simulations were performed employing the Dynamic Lattice Liquid algorithm to study this process. A core-first methodology was used in a living polymerization of stars with up to 32 arms, and dendrimers consisted of 4-functional segments. The kinetics of the synthesis process for stars with different numbers of branches and dendrimers was compared. The size and structure of star-branched polymers and dendrimers during the synthesis were studied. The influence of the functionality of well-defined cores on the structure and on the dispersity of the system was also examined. The differences in the kinetics in the formation of both architectures, as well as changes to their structures, were described and discussed.
    Language English
    Publishing date 2022-06-21
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527146-5
    ISSN 2073-4360 ; 2073-4360
    ISSN (online) 2073-4360
    ISSN 2073-4360
    DOI 10.3390/polym14132522
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Molecular transport in systems containing binding obstacles.

    Polanowski, Piotr / Sikorski, Andrzej

    Soft matter

    2019  Volume 15, Issue 48, Page(s) 10045–10054

    Abstract: We studied the movement of particles in crowded environments by means of extensive Monte Carlo simulations. The dynamic lattice liquid model was employed for this purpose. It is based on the cooperative movement concept and allows the study of systems at ...

    Abstract We studied the movement of particles in crowded environments by means of extensive Monte Carlo simulations. The dynamic lattice liquid model was employed for this purpose. It is based on the cooperative movement concept and allows the study of systems at high densities. The cooperative model of molecular transport is assumed: the motion of all moving particles is highly correlated. The model is supposed to mimic lateral motion in a membrane and therefore the system is two-dimensional with moving objects and traps placed on a triangular lattice. In our study the interaction (binding) of traps with moving particles was assumed. The conditions in which subdiffusive motion appeared in the system were analysed. The influence of the strength of binding on the dynamic percolation threshold was also shown. The differences in the dynamics compared to systems with impenetrable obstacles and with systems without correlation in motion were presented and discussed. It was shown that in the case of correlated motion the influence of deep traps is similar to that of impenetrable obstacles. If the traps are shallow a recovery to normal diffusion was observed for longer time periods.
    Language English
    Publishing date 2019-11-26
    Publishing country England
    Document type Journal Article
    ZDB-ID 2191476-X
    ISSN 1744-6848 ; 1744-683X
    ISSN (online) 1744-6848
    ISSN 1744-683X
    DOI 10.1039/c9sm01876j
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Motion in a crowded environment: the influence of obstacles' size and shape and model of transport.

    Polanowski, Piotr / Sikorski, Andrzej

    Journal of molecular modeling

    2019  Volume 25, Issue 3, Page(s) 84

    Abstract: Simulations of motion in a complex crowded environment were performed. We employed the dynamic lattice liquid model, which was based on the cooperative movement concept. This algorithm is capable of working at very high densities, and the motion of all ... ...

    Abstract Simulations of motion in a complex crowded environment were performed. We employed the dynamic lattice liquid model, which was based on the cooperative movement concept. This algorithm is capable of working at very high densities, and the motion of all objects was highly correlated. The so-called motion of a single agent, where the motion of molecules is considered as a random walk without any correlation with other moving objects, was also calculated as the state of reference. Immobilized chains embedded in a two-dimensional triangular lattice modeled the crowded environment. The dynamic behavior of movable objects was studied and the influence of the structure of the matrix of obstacles on the molecular transport was discussed. It was shown that the type of transport has an impact on the dynamics of the system. The appearance and properties of subdiffusive motion were analyzed and referred to the structure of polymer systems.
    Language English
    Publishing date 2019-03-02
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1284729-x
    ISSN 0948-5023 ; 1610-2940
    ISSN (online) 0948-5023
    ISSN 1610-2940
    DOI 10.1007/s00894-019-3968-9
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Universal scaling behavior of polymer chains at the percolation threshold.

    Polanowski, Piotr / Sikorski, Andrzej

    Soft matter

    2018  Volume 14, Issue 41, Page(s) 8249–8252

    Abstract: Two-dimensional macromolecular systems were studied by means of Monte Carlo simulations employing the Cooperative Motion Algorithm. The influence of chain length and internal architecture on the location of the percolation thresholds was shown. A ... ...

    Abstract Two-dimensional macromolecular systems were studied by means of Monte Carlo simulations employing the Cooperative Motion Algorithm. The influence of chain length and internal architecture on the location of the percolation thresholds was shown. A universal behavior of chain size at these thresholds was presented.
    Language English
    Publishing date 2018-10-11
    Publishing country England
    Document type Journal Article
    ZDB-ID 2191476-X
    ISSN 1744-6848 ; 1744-683X
    ISSN (online) 1744-6848
    ISSN 1744-683X
    DOI 10.1039/c8sm01666f
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  9. Article: Professor Wiesław Lasiński (1915-2010).

    Sikorski, Andrzej

    Folia morphologica

    2011  Volume 70, Issue 3, Page(s) 212–213

    MeSH term(s) Anatomy/history ; History, 20th Century ; History, 21st Century ; Periodicals as Topic/history ; Poland
    Language English
    Publishing date 2011-09-12
    Publishing country Poland
    Document type Biography ; Historical Article ; Journal Article ; Portrait
    ZDB-ID 419361-1
    ISSN 1644-3284 ; 0015-5659
    ISSN (online) 1644-3284
    ISSN 0015-5659
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 577: Show issues Location:
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  10. Article ; Online: Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations.

    Halagan, Krzysztof / Banaszak, Michal / Jung, Jaroslaw / Polanowski, Piotr / Sikorski, Andrzej

    Polymers

    2021  Volume 13, Issue 24

    Abstract: A model of the polymerization process during the formation of a pair of polymer brushes was designed and investigated. The obtained system consisted of two impenetrable parallel surfaces with the same number of chains grafted on both surfaces. Coarse- ... ...

    Abstract A model of the polymerization process during the formation of a pair of polymer brushes was designed and investigated. The obtained system consisted of two impenetrable parallel surfaces with the same number of chains grafted on both surfaces. Coarse-grained chains embedded in nodes of a face-centered cubic lattice with excluded volume interactions were obtained by a 'grafted from' procedure. The structure of synthesized macromolecular systems was also studied. Monte Carlo simulations using the dynamic lattice liquid model were employed using dedicated parallel machine ARUZ in a large size and time scale. The parameters of the polymerization process were found to be crucial for the proper structure of the brush. It was found that for high grafting densities, chains were increasingly compressed, and there is surprisingly little interpenetration of chains from opposite surfaces. It was predicted and confirmed that in a polydisperse sample, the longer chains have unique configurations consisting of a stretched stem and a coiled crown.
    Language English
    Publishing date 2021-12-08
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2527146-5
    ISSN 2073-4360 ; 2073-4360
    ISSN (online) 2073-4360
    ISSN 2073-4360
    DOI 10.3390/polym13244294
    Database MEDical Literature Analysis and Retrieval System OnLINE

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