Matches in SemOpenAlex for { <https://semopenalex.org/work/W2908421041> ?p ?o ?g. }
- W2908421041 endingPage "1816" @default.
- W2908421041 startingPage "1806" @default.
- W2908421041 abstract "We propose a model for slowing down of clathrate hydrate formation caused by kinetic hydrate inhibitors (KHIs) on the basis of the Gibbs–Thomson effect. The residence time of inhibitor molecules bound to the hydrate surface and the intrinsic growth rate of the clathrate hydrate without KHIs are key ingredients of the model. The binding free energies of the monomer, dimer, tetramer, and octamer of a KHI, polyvinylcaprolactam (PVCap), are calculated using molecular dynamics simulations to estimate the residence times, which are far beyond the feasible simulation time. Our model accounts for the kinetic inhibition mechanism while reproducing experimental data of the size dependence of PVCap very well. We demonstrate that this model explains why blends of high and low-molecular-weight polymers show better performance than the KHI with a unimodal molecular weight distribution and why quaternary ammonium cations are good KHIs for tetrahydrofuran hydrate although they cannot inhibit formation of natural gas hydr..." @default.
- W2908421041 created "2019-01-11" @default.
- W2908421041 creator A5031493092 @default.
- W2908421041 creator A5070455314 @default.
- W2908421041 creator A5083627423 @default.
- W2908421041 date "2018-12-31" @default.
- W2908421041 modified "2023-09-24" @default.
- W2908421041 title "Molecular Dynamics Study of Kinetic Hydrate Inhibitors: The Optimal Inhibitor Size and Effect of Guest Species" @default.
- W2908421041 cites W1964982059 @default.
- W2908421041 cites W1965374770 @default.
- W2908421041 cites W1966078827 @default.
- W2908421041 cites W1967505682 @default.
- W2908421041 cites W1967835363 @default.
- W2908421041 cites W1973787521 @default.
- W2908421041 cites W1978498560 @default.
- W2908421041 cites W1983281796 @default.
- W2908421041 cites W1985196146 @default.
- W2908421041 cites W1987746672 @default.
- W2908421041 cites W1990126256 @default.
- W2908421041 cites W1991794210 @default.
- W2908421041 cites W1994643710 @default.
- W2908421041 cites W2008943604 @default.
- W2908421041 cites W2012871048 @default.
- W2908421041 cites W2013662841 @default.
- W2908421041 cites W2015517515 @default.
- W2908421041 cites W2021310757 @default.
- W2908421041 cites W2021382151 @default.
- W2908421041 cites W2027840063 @default.
- W2908421041 cites W2030617384 @default.
- W2908421041 cites W2032365938 @default.
- W2908421041 cites W2032599379 @default.
- W2908421041 cites W2034743280 @default.
- W2908421041 cites W2035687084 @default.
- W2908421041 cites W2038886135 @default.
- W2908421041 cites W2041638382 @default.
- W2908421041 cites W2051071592 @default.
- W2908421041 cites W2051381895 @default.
- W2908421041 cites W2054881399 @default.
- W2908421041 cites W2055177805 @default.
- W2908421041 cites W2057373678 @default.
- W2908421041 cites W2059403171 @default.
- W2908421041 cites W2059646238 @default.
- W2908421041 cites W2060512552 @default.
- W2908421041 cites W2065329899 @default.
- W2908421041 cites W2067174909 @default.
- W2908421041 cites W2069357690 @default.
- W2908421041 cites W2074117796 @default.
- W2908421041 cites W2075045913 @default.
- W2908421041 cites W2076823070 @default.
- W2908421041 cites W2081125207 @default.
- W2908421041 cites W2081693079 @default.
- W2908421041 cites W2083156977 @default.
- W2908421041 cites W2084925089 @default.
- W2908421041 cites W2085559155 @default.
- W2908421041 cites W2088793989 @default.
- W2908421041 cites W2092646037 @default.
- W2908421041 cites W2099284734 @default.
- W2908421041 cites W2109671158 @default.
- W2908421041 cites W2112154906 @default.
- W2908421041 cites W2115367367 @default.
- W2908421041 cites W2120571418 @default.
- W2908421041 cites W2141273392 @default.
- W2908421041 cites W2142826190 @default.
- W2908421041 cites W2170193749 @default.
- W2908421041 cites W2171268876 @default.
- W2908421041 cites W2175141318 @default.
- W2908421041 cites W2189751284 @default.
- W2908421041 cites W2253188578 @default.
- W2908421041 cites W2257222565 @default.
- W2908421041 cites W2289576126 @default.
- W2908421041 cites W2317166739 @default.
- W2908421041 cites W2323935101 @default.
- W2908421041 cites W2327484102 @default.
- W2908421041 cites W2330086068 @default.
- W2908421041 cites W2332181108 @default.
- W2908421041 cites W2333343677 @default.
- W2908421041 cites W2336452749 @default.
- W2908421041 cites W2338288603 @default.
- W2908421041 cites W2413972172 @default.
- W2908421041 cites W2481494372 @default.
- W2908421041 cites W2515640684 @default.
- W2908421041 cites W2577644470 @default.
- W2908421041 cites W2752018387 @default.
- W2908421041 cites W2762772696 @default.
- W2908421041 cites W2768531357 @default.
- W2908421041 cites W2775779779 @default.
- W2908421041 cites W2777030978 @default.
- W2908421041 cites W2783188103 @default.
- W2908421041 cites W2786807390 @default.
- W2908421041 cites W2790266641 @default.
- W2908421041 cites W2803775504 @default.
- W2908421041 cites W2807043701 @default.
- W2908421041 cites W2809295628 @default.
- W2908421041 doi "https://doi.org/10.1021/acs.jpcc.8b09834" @default.
- W2908421041 hasPublicationYear "2018" @default.
- W2908421041 type Work @default.
- W2908421041 sameAs 2908421041 @default.
- W2908421041 citedByCount "36" @default.