PREDICTION OF POLYMER COMPATIBILITY FOR POLYMER ELECTROLYTES USING SEMI-EMPIRICAL QUANTUM CHEMICAL METHOD

The article proposes a method for predicting the compatibility of polymers for polymer electrolytes using the semi-empirical PM3 method, as well as the PM3 method using boundary conditions called a periodic box. Using the proposed method, a compatibility prediction was made for polymer pairs: ethylene-propylene rubber and polyethylene, polyvinylidene fluoride and hydrogenated nitrile butadiene rubber.

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Publication Details

Journal
IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY
Published
2024-12-01
DOI
https://doi.org/10.35211/1990-5297-2024-12-295-109-117
Primary Topic
Polymer Science and PVC
Type
article
Field-Weighted Citation Impact
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article

PREDICTION OF POLYMER COMPATIBILITY FOR POLYMER ELECTROLYTES USING SEMI-EMPIRICAL QUANTUM CHEMICAL METHOD

В. В. Климов, D. V. EZHOV, A. N. GAYDADIN
IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY
Polymer Science and PVC
article

PREDICTION OF POLYMER COMPATIBILITY FOR POLYMER ELECTROLYTES USING SEMI-EMPIRICAL QUANTUM CHEMICAL METHOD

В. В. Климов, D. V. EZHOV, A. N. GAYDADIN
article en

Abstract

The article proposes a method for predicting the compatibility of polymers for polymer electrolytes using the semi-empirical PM3 method, as well as the PM3 method using boundary conditions called a periodic box. Using the proposed method, a compatibility prediction was made for polymer pairs: ethylene-propylene rubber and polyethylene, polyvinylidene fluoride and hydrogenated nitrile butadiene rubber.

IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY(12(295))
Openalex Percentile: Top 82%
Polymer Science and PVC
DOIOpen Access PDFOpenAlex
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PREDICTION OF POLYMER COMPATIBILITY FOR POLYMER ELECTROLYTES USING SEMI-EMPIRICAL QUANTUM CHEMICAL METHOD — В. В. Климов, D. V. EZHOV, et al. · IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY (2024) | TGRS Research Map | TGRS