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Calculation of viscosities of colloidal systems via molecular dynamics simulations can be done, e.g., with the help of the Stokes-Einstein formula. In this paper we use the method proposed by Palmer and implemented in GROMACS 2020 software package for estimating the viscosities of one- and two- component
molecular liquids. This method is based on computation of the autocorrelation
functions of the momentum. It has been here applied for finding the viscosities of several homogeneous molecular systems (water, pentane, heptane, decane) and that of a weakly inhomogeneous system, i.e., a small premicellar aggregate of non-ionic surfactant molecules (C12E4) in heptane.
Translated title of the contributionРасчет вязкости полярных и неполярных растворов методом молекулярной динамики.
Original languageEnglish
Title of host publicationInternational Student Conference “Science and Progress”
Subtitle of host publicationConference abstracts
Place of PublicationСПб
PublisherООО "Сборка"
Pages191
Number of pages1
ISBN (Electronic)978-5-85263-109-1
StatePublished - Nov 2021
EventInternational Student Conference Science and Progress 2021 - Физический факультет Санкт-Петербургского госуниверситета, Санкт-Петербург, Russian Federation
Duration: 9 Nov 202111 Nov 2021
https://events.spbu.ru/events/sp-2021?lang=Eng
https://events.spbu.ru/events/sp-2021

Conference

ConferenceInternational Student Conference Science and Progress 2021
Abbreviated titleScience and Progress 2021
Country/TerritoryRussian Federation
CityСанкт-Петербург
Period9/11/2111/11/21
Internet address

ID: 90684018