2022
DOI: 10.1007/s00894-022-05069-z
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Molecular Simulations to Understand the Moisture, Carbon Dioxide, and Oxygen Barrier Properties of Pectin Films

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Cited by 9 publications
(2 citation statements)
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“…5 Nearly one century later, quantum chemistry calculations suggest that H2O molecules strongly adsorb on the pectin film thanks to formation of hydrogen bonding between the -OH group of galacturonic acid (GA) moieties and GA and H2O, and eventually slowly diffuse through the film to the other side. 6 Oxygen molecules, in their turn, can only diffuse via Knudsen diffusion through micropores or micro defects on the film surface.…”
Section: Introductionmentioning
confidence: 99%
“…5 Nearly one century later, quantum chemistry calculations suggest that H2O molecules strongly adsorb on the pectin film thanks to formation of hydrogen bonding between the -OH group of galacturonic acid (GA) moieties and GA and H2O, and eventually slowly diffuse through the film to the other side. 6 Oxygen molecules, in their turn, can only diffuse via Knudsen diffusion through micropores or micro defects on the film surface.…”
Section: Introductionmentioning
confidence: 99%
“…5 Nearly one century later, quantum chemistry calculations suggest that H 2 O molecules strongly adsorb on the pectin film thanks to formation of hydrogen bonding between the −OH group of galacturonic acid (GA) moieties and GA and H 2 O, and eventually slowly diffuse through the film to the other side. 6 Oxygen molecules, in their turn, can only diffuse via Knudsen diffusion through micropores or microdefects on the film surface.…”
Section: Introductionmentioning
confidence: 99%