Famous men of science, by Sarah K. Bolton.

Adsorption of Normal-Alkanes on Fe(110), FeO(110), and Fe2O3(0001): Influence of Iron Oxide Surfaces

“…Moreover, both carbon and hydrogen interact much more strongly with the small iron cation than the much larger oxygen anion. This trend is consistent with the observations of alkanes on α-Al 2 O 3 by Li and Choi 5 as well as Bolton et al 7 3.3. Adsorption Behavior of n-Alkanes.…”

“…In fact, the largest adsorption energies obtained from the TS scheme are 125. 4 [3] 0.474 0.220 −53.6 +0.81 −26 −41 −8 Fe [4] 0.904 1.111 +22.9 +0.86 +13 +21 +47 O [5] 0.904 0.967 +6.9 −0.57 +5 Fe [6] 0.474 0.443 −6.6 +0.84 −4 Fe [7] 0.904 0.962 +6.4 +0.86 +2 O [8] 0.904 0.904 0 −0.57 0 Table 5 10.01, and 8.97 kJ/mol, respectively. It is a reasonably good agreement between the results obtained from DFT calculations and those obtained from experimental and theoretical measurements for the iron surface.…”

A molecular-level computational study of the diffusion and solubility of water and oxygen in carbonaceous polyethylene nanocomposites

“…For each structure, the MD simulations were performed for 4.0 ns in the NVT ensemble using the Nos e-Hoover thermostat, 51,52 with a damping coefficient of 0.1 ps and a time step of 1.0 fs. The Verlet integration algorithm, which has the strength of being time-reversible, 53 was used.…”

Preparation and Polymerization of Vinyl Heterocyclic Compounds

“…The polymers, having an average molecular weight of 10,000 t o 500,000, have the property of being soluble in water below 30°C and insoluble at higher temperature. This allows development of the lactam-type emulsions at high temperature without causing reticulation [408] . 1-Vinylcaprolactam was polymerized also with hydrogen peroxide and BPO as initiators at temperatures over lOO'C, and low molecular weight polymers were obtained.…”