FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4301187997> ?p ?o ?g. }

• W4301187997 endingPage "17455" @default.
• W4301187997 startingPage "17441" @default.
• W4301187997 abstract "In a nuclear waste repository, the corrosion of metals and the degradation of the organic material in the waste matrix can generate significant amounts of gases. These gases should be able to migrate through the multibarrier system to prevent a potential pressure build-up that could lead to a loss of barrier integrity. Smectite mineral particles form a tortuous pore network consisting of larger interparticle pores and narrow interlayer pores between the platelets of the smectite minerals. These pores are normally saturated with water, so one of the most important mechanisms for the transport of gases is diffusion. The diffusion of gases through the interparticle porosity depends on the distribution of gas molecules in the water-rich phase, their self-diffusion coefficients, and the tortuosity of the pore space. Classical molecular dynamics simulations were applied to study the mobility of gases (CO2, H2, CH4, He, and Ar) in Na-montmorillonite (Na-MMT) under saturated conditions. The simulations were used to estimate the gas diffusion coefficient (D) in saturated Na-MMT as a function of nanopore size and temperature. The temperature dependence of the diffusion coefficient was expressed by the Arrhenius equation for the activation energy (Ea). The predicted D values of gases were found to be sensitive to the pore size as the D values gradually increase with increasing pore size and asymptotically converge to the gas diffusion coefficient in bulk water. This behavior is also observed in the self-diffusion coefficients of water in Na-MMT. In general, H2 and He exhibit higher D values than Ar, CO2, and CH4. The predicted Ea values indicate that the confinement affects the activation energy. This effect is due to the structuring of the water molecules near the clay surface, which is more pronounced in the first two layers of water near the surface and decreases thereafter. Atomic density profiles and radial distribution functions obtained from the simulations show that the interaction of the gas with the liquid and the clay surface influences mobility. The obtained diffusion coefficient for different gases and slit pore size were parameterized with a single empirical relationship, which can be applied to macroscopic simulations of gas transport." @default.
• W4301187997 created "2022-10-04" @default.
• W4301187997 creator A5024787203 @default.
• W4301187997 creator A5032735535 @default.
• W4301187997 creator A5052352048 @default.
• W4301187997 creator A5087293560 @default.
• W4301187997 date "2022-10-04" @default.
• W4301187997 modified "2023-10-16" @default.
• W4301187997 title "Mobility of Dissolved Gases in Smectites under Saturated Conditions: Effects of Pore Size, Gas Types, Temperature, and Surface Interaction" @default.
• W4301187997 cites W1640609149 @default.
• W4301187997 cites W1675602030 @default.
• W4301187997 cites W188823192 @default.
• W4301187997 cites W1968189014 @default.
• W4301187997 cites W1971950143 @default.
• W4301187997 cites W1974033013 @default.
• W4301187997 cites W1974386758 @default.
• W4301187997 cites W1977565604 @default.
• W4301187997 cites W1985272737 @default.
• W4301187997 cites W1987185519 @default.
• W4301187997 cites W1987776722 @default.
• W4301187997 cites W1995623526 @default.
• W4301187997 cites W1995722436 @default.
• W4301187997 cites W1999574655 @default.
• W4301187997 cites W2001475121 @default.
• W4301187997 cites W2010171599 @default.
• W4301187997 cites W2012389697 @default.
• W4301187997 cites W2013544421 @default.
• W4301187997 cites W2013810576 @default.
• W4301187997 cites W2015441284 @default.
• W4301187997 cites W2017017050 @default.
• W4301187997 cites W2017196167 @default.
• W4301187997 cites W2018838791 @default.
• W4301187997 cites W2019465613 @default.
• W4301187997 cites W2019931907 @default.
• W4301187997 cites W2020546548 @default.
• W4301187997 cites W2021096953 @default.
• W4301187997 cites W2023800311 @default.
• W4301187997 cites W2031792068 @default.
• W4301187997 cites W2032702254 @default.
• W4301187997 cites W2036965645 @default.
• W4301187997 cites W2038081941 @default.
• W4301187997 cites W2039269837 @default.
• W4301187997 cites W2041638382 @default.
• W4301187997 cites W2042285588 @default.
• W4301187997 cites W2042739916 @default.
• W4301187997 cites W2045336731 @default.
• W4301187997 cites W2045721049 @default.
• W4301187997 cites W2046964900 @default.
• W4301187997 cites W2049475242 @default.
• W4301187997 cites W2053557914 @default.
• W4301187997 cites W2053880735 @default.
• W4301187997 cites W2055644578 @default.
• W4301187997 cites W2056799063 @default.
• W4301187997 cites W2057089150 @default.
• W4301187997 cites W2058955158 @default.
• W4301187997 cites W2062251485 @default.
• W4301187997 cites W2065585407 @default.
• W4301187997 cites W2067309203 @default.
• W4301187997 cites W2067711747 @default.
• W4301187997 cites W2068937960 @default.
• W4301187997 cites W2070009749 @default.
• W4301187997 cites W2070509625 @default.
• W4301187997 cites W2076125618 @default.
• W4301187997 cites W2076539101 @default.
• W4301187997 cites W2078492239 @default.
• W4301187997 cites W2090884527 @default.
• W4301187997 cites W2093639821 @default.
• W4301187997 cites W2106140689 @default.
• W4301187997 cites W2114665838 @default.
• W4301187997 cites W2119872499 @default.
• W4301187997 cites W2131214472 @default.
• W4301187997 cites W2135927243 @default.
• W4301187997 cites W2139705803 @default.
• W4301187997 cites W2139717739 @default.
• W4301187997 cites W2143301421 @default.
• W4301187997 cites W2150052155 @default.
• W4301187997 cites W2150535668 @default.
• W4301187997 cites W2162966874 @default.
• W4301187997 cites W2222429467 @default.
• W4301187997 cites W2317829504 @default.
• W4301187997 cites W2319463930 @default.
• W4301187997 cites W2320833265 @default.
• W4301187997 cites W2321602552 @default.
• W4301187997 cites W2322723381 @default.
• W4301187997 cites W2322822759 @default.
• W4301187997 cites W2323544747 @default.
• W4301187997 cites W2327683722 @default.
• W4301187997 cites W2329156411 @default.
• W4301187997 cites W2332052207 @default.
• W4301187997 cites W2406017807 @default.
• W4301187997 cites W2470831447 @default.
• W4301187997 cites W2532454696 @default.
• W4301187997 cites W2603298775 @default.
• W4301187997 cites W2604555239 @default.
• W4301187997 cites W2740682285 @default.
• W4301187997 cites W2765773707 @default.
• W4301187997 cites W2767291410 @default.
• W4301187997 cites W2774990785 @default.

• next