Home / Publications / Mobility of small molecules in membrane materials based on copolyimide P84

Mobility of small molecules in membrane materials based on copolyimide P84

A M Toikka 1
A M Toikka
, 
Alexandra Yuryevna Pulyalina 1
Alexandra Yuryevna Pulyalina
, 
Andrey Vitalievich Petrov 1
Andrey Vitalievich Petrov
10.1016/j.mencom.2021.01.024
Published 2020-12-30
Communication , Volume 31, Issue 1, 79-80
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Toikka A. M., Pulyalina A. Y., Petrov A. V. Mobility of small molecules in membrane materials based on copolyimide P84 // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 79-80.
GOST all authors (up to 50) Copy
Toikka A. M., Pulyalina A. Y., Petrov A. V. Mobility of small molecules in membrane materials based on copolyimide P84 // Mendeleev Communications. 2020. Vol. 31. No. 1. pp. 79-80.
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TY - JOUR
DO - 10.1016/j.mencom.2021.01.024
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.024
TI - Mobility of small molecules in membrane materials based on copolyimide P84
T2 - Mendeleev Communications
AU - Toikka, A M
AU - Pulyalina, Alexandra Yuryevna
AU - Petrov, Andrey Vitalievich
PY - 2020
DA - 2020/12/30
PB - Mendeleev Communications
SP - 79-80
IS - 1
VL - 31
ER -
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@article{2020_Toikka,
author = {A M Toikka and Alexandra Yuryevna Pulyalina and Andrey Vitalievich Petrov},
title = {Mobility of small molecules in membrane materials based on copolyimide P84},
journal = {Mendeleev Communications},
year = {2020},
volume = {31},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.024},
number = {1},
pages = {79--80},
doi = {10.1016/j.mencom.2021.01.024}
}
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Toikka, A. M., et al. “Mobility of small molecules in membrane materials based on copolyimide P84.” Mendeleev Communications, vol. 31, no. 1, Dec. 2020, pp. 79-80. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.01.024.

Keywords

copolyimide P84
DFT
diffusion
force fields
molecular dynamics
sorption center

Abstract

Dynamics of small molecules in copolyimide P84, which is an important membrane material for separation and purification technologies, have been analyzed using quantum chemistry and molecular dynamics methods. The most significant factors determining the membrane properties and the molecular motion of gases and liquids in the P84 membranes are both the size and dipole moment of these molecules as well as the charge state of sorption centers in the polymer.

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