TY - JOUR

T1 - Investigation of Kinetics of Formation of Methane + Propane Hydrates by Molecular Dynamics Method in the Presence of Hydrate Seed and Sea Salt

AU - Zhdanov, R. K.

AU - Gets, K. V.

AU - Bozhko, Yu Yu

AU - Subboting, O. O.

AU - Belosludov, V. R.

N1 - Supported by the RF Ministry of Education and Science, and by RFBR within the framework of joint scientific project no. 21-52-52001. The reported study was funded by RFBR and MOST according to research project no. 21-52-52001. O. S. Subbotin thanks the Ministry of Science and Higher Education of the Russian Federation (project no. 121031700321-3) for the possibility of using the cluster for computer calculations. Публикация для корректировки.

PY - 2023/6

Y1 - 2023/6

N2 - In the presented work we studied the process of nucleation and growth of methane and propane gas hydrate from a homogeneous solution by means of molecular dynamics. The aim is to assess the effect of hydrate seed on the growth rate and structure of the resulting hydrate in the presence of sea salt. This process was characterized via calculation of the number of long-lived hydrogen bonds and amount of hydrate and hydrate-like cavities, as well as the order parameter of the intermolecular torsion angles. It is shown that the kinetics of hydrate formation do not differ much in the cases of pure water and seawater. A seed crystal of hydrate on the contrary, not only increases the hydrate growth rate, but also makes the resulting structure more consistent with the cubic structure II hydrate.

AB - In the presented work we studied the process of nucleation and growth of methane and propane gas hydrate from a homogeneous solution by means of molecular dynamics. The aim is to assess the effect of hydrate seed on the growth rate and structure of the resulting hydrate in the presence of sea salt. This process was characterized via calculation of the number of long-lived hydrogen bonds and amount of hydrate and hydrate-like cavities, as well as the order parameter of the intermolecular torsion angles. It is shown that the kinetics of hydrate formation do not differ much in the cases of pure water and seawater. A seed crystal of hydrate on the contrary, not only increases the hydrate growth rate, but also makes the resulting structure more consistent with the cubic structure II hydrate.

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85165231889&origin=inward&txGid=52243a7d599018bde71e607d7012511a

UR - https://www.mendeley.com/catalogue/25206706-6e02-32be-bd4d-502dda618a57/

U2 - 10.1134/S181023282302008X

DO - 10.1134/S181023282302008X

M3 - Article

VL - 32

SP - 312

EP - 320

JO - Journal of Engineering Thermophysics

JF - Journal of Engineering Thermophysics

SN - 1810-2328

IS - 2

ER -