Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Hybrid method for modeling and optimization of polymerization processes

2014/15/B/ST5/05321

Keywords:

polymerization kinetics modeling stochastic-deterministic method

Descriptors:

  • ST6_12: Scientific computing, simulation and modelling tools
  • ST5_21:

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Centrum Badań Molekularnych i Makromolekularnych Polskiej Akademii Nauk

woj. łódzkie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Ryszard Szymański 

Number of co-investigators in the project: 2

Call: OPUS 8 - announced on 2014-09-15

Amount awarded: 364 496 PLN

Project start date (Y-m-d): 2015-08-07

Project end date (Y-m-d): 2019-01-06

Project duration:: 41 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Pamięć Corsair 4x8GB DDR4 2 szt..
  2. Komputery do tworzenia oprogramowania i prowadzenia symulacji (2 szt.) (24 000 PLN)
  3. Oprogramowanie specjalistyczne (32 500 PLN)
  4. Notebook z podstawowym oprogramowaniem (6 500 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  • Articles in post-conference publications (5)
  1. Statistical effects related to low numbers of reacting molecules analyzed for a reversible association reaction A + B = C in ideally dispersed systems: An apparent violation of the law of mass action
    Authors:
    R. Szymanski, S. Sosnowski, Ł. Maślanka
    Academic press:
    J. Chem. Phys. (rok: 2016, tom: 144, strony: 124112 + 124112-10), Wydawca: American Institute of Physics
    Status:
    Published
    DOI:
    10.1063/1.4944695 - link to the publication
  2. A Novel Efficient Hybrid Algorithm for Monte Carlo Simulation of Controlled Radical Polymerization: The Method Integrating Reactive and Deactivated Species
    Authors:
    S. Sosnowski, R. Szymanski
    Academic press:
    Chemical Engineering Journal (rok: 2019, tom: 358, strony: 197-210), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2018.09.154 - link to the publication
  3. Chain length distributions in linear polyaddition proceeding in nano-scale small volumes without mass transfer
    Authors:
    R. Szymanski, S. Sosnowski
    Academic press:
    The Journal of Chemical Physics (rok: 2017, tom: 146, strony: 044113-1 - 044113-17), Wydawca: American Institute of Physics
    Status:
    Published
    DOI:
    10.1063/1.4974763 - link to the publication
  4. Cumulative steady state Monte Carlo method for processes with exchange between reactive species. Case of controlled radical copolymerization
    Authors:
    R. Szymanski, S. Sosnowski
    Academic press:
    Chemical Engineering Journal (rok: 2019, tom: 370, strony: 432–443), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2019.03.184 - link to the publication
  5. Steady State and Equilibrium in Reversible Copolymerization at Constant Comonomer Concentrations
    Authors:
    R. Szymanski, S. Sosnowski, M. Cypryk
    Academic press:
    Macromolecular Theory and Simulations (rok: 2017, tom: 26, strony: 1700039 -), Wydawca: WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
    Status:
    Published
    DOI:
    10.1002/mats.201700039 - link to the publication
  6. Effect of the Configuration of a Bulky Aluminum Initiator on the Structure of Copolymers of L,L-Lactide with Symmetric Comonomer Trimethylene Carbonate
    Authors:
    Marta Socka, Ryszard Szymanski, Stanislaw Sosnowski, Andrzej Duda
    Academic press:
    Polymers (rok: 2018, tom: 10, strony: 70-), Wydawca: Multidisciplinary Digital Publishing Institute AG, Bazylea, Szwajcaria
    Status:
    Published
    DOI:
    10.3390/polym10010070 - link to the publication
  7. Evolution of Chain Length Distribution and Microstructure of Macromolecules in Irreversible Copolymerization Proceeding with Segmental Exchange Investigated with a New Monte Carlo Algorithm
    Authors:
    R. Szymanski, S. Sosnowski
    Academic press:
    Macromolecular Theory and Simulations (rok: 2018, tom: 27, strony: 1800015-), Wydawca: WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
    Status:
    Published
    DOI:
    10.1002/mats.201800015 - link to the publication
  8. Evolution of Chain Microstructure and Kinetics of Reaching Equilibrium in Living Reversible Copolymerization
    Authors:
    R. Szymanski, S. Sosnowski, M. Cypryk
    Academic press:
    Macromol. Theory Simul. (rok: 2016, tom: 25, strony: 196–214), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/mats.201500047 - link to the publication
  9. Modelowanie kinetyki polimeryzacji jako narzędzie badania jej mechanizmu i przewidywania przebiegu
    Authors:
    S. Sosnowski, R. Szymanski
    Academic press:
    Polimery (rok: 2016, tom: 61, strony: 385-396), Wydawca: Instytut Chemii Przemysłowej
    Status:
    Published
    DOI:
    10.14314/polimery.2016.387 - link to the publication
  1. Effect of Configuration of a Bulky Aluminum Initiator on the Structure of Copolymers of L,L-Lactide with Symmetric Comonomer
    Authors:
    Andrzej Duda, Marta Socka, Marcin Florczak, Stanisław Sosnowski, Ryszard Szymanski
    Conference:
    European Polymer Federation Congress, Lion, Francja (rok: 2017, ), Wydawca: European Polymer Federation
    Data:
    konferencja 2-7 czerwca
    Status:
    Published
    DOI:
    link to the publication
  2. Kinetics and MWD in living polymerizations proceeding in ideally dispersed systems without mass transfer. Numerical simulations
    Authors:
    S. Sosnowski, R. Szymanski
    Conference:
    World Congress On Living Polymerizations and Polymers (rok: 2016, ), Wydawca: Palatinus Prin Kft
    Data:
    konferencja 29 maja - 3 czerwca
    Status:
    Published
  3. Kinetics of living reversible copolymerization with reshuffling of copolymer units (ROP). Monte Carlo and deterministic simulations
    Authors:
    R. Szymanski, S. Sosnowski
    Conference:
    World Congress On Living Polymerizations and Polymers (rok: 2016, ), Wydawca: Palatinus Print Kft
    Data:
    konferencja 29 maja - 3 czerwca
    Status:
    Published
  4. Kinetics of Ring Opening Living Coolymerization with Reshuffling of Copolymer Units. Monte Carlo Simulations, a New Effective Algorithm
    Authors:
    Stanislaw Sosnowski, Ryszard Szymanski
    Conference:
    European Polymer Federation Congress, Lion, Francja (rok: 2017, ), Wydawca: European Polymer Federation
    Data:
    konferencja 2-7 czerwca
    Status:
    Published
    DOI:
    link to the publication
  5. A New Kinetic Monte Carlo Method of Modeling Controlled Radical Polymerization. An Efficient Way of Predicting Polymer Structure and of Optimization of Product Formation
    Authors:
    R. Szymanski, S. Sosnowski
    Conference:
    3rd International Conference on Biopolymers & Polymer Chemistry, Prgue, Czech Republic (rok: 2018, ), Wydawca: SCIENTIFIC FEDERATION ABODE FOR RESEARCHERS
    Data:
    konferencja October 22-23, 2018
    Status:
    Published

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