Physical Sciences and Mathematics Commons^™

The Nature, Origin And Preservation Of Amide Organic Nitrogen In Organic Matter, Georgina Anne Mckee

Chemistry & Biochemistry Theses & Dissertations

Past studies have found much of nonliving sedimentary/aqueous nitrogen-containing organic matter (NCOM) is composed of amides, assumed to be peptides/proteins. Their lability calls into question their survival, and several hypotheses have been suggested to explain this. Using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and nuclear magnetic resonance (NMR) spectroscopy I investigated the molecular amide composition in sedimentary/aqueous systems while reassessing their preservation and formation routes.

Development of a suitable methodology is essential for successful NCOM study due to electrospray ionisation source requirements: sediment samples need to be rendered into solution. Based on NMR and FT-ICR-MS analysis, I determined …

Insights Into Chemical Structure Changes Of Kerogen From Bituminous Coal In Response To Dike Intrusions Investigated By Advanced Solid-State 13C Nmr, Yuan Li

Chemistry & Biochemistry Theses & Dissertations

Variations in the chemical structures of kerogens From highly volatile bituminous coal located near two igneous dike intrusions in the Illinois Basin were examined in detail by advanced solid-state ¹³C nuclear magnetic resonance (NMR) spectroscopy. Spectral-editing techniques were used to identify specific functional groups. Direct polarization was used to quantify different functional groups. ¹H-¹³C two- dimensional heteronuclear NMR was used to examine connectivities and proximities, and ¹H-¹³C long-range recoupled dipolar dephasing was used to estimate aromatic cluster sizes. With decreasing distance to dike contacts and increasing thermal maturity (vitrinite reflectance R₀ from …

Towards An Integrated Multiscale Simulation Of Turbulent Clouds On Petascale Computers, Lian-Ping Wang, Orlando Ayala, Hossein Parishani, Wojciech W. Grabowski, Andrzej A. Wyszogrodzki, Zbigniew Piotrowski, Guang R. Gao, Chandra Kambhamettu, Xiaoming Li, Louis Rossi

Engineering Technology Faculty Publications

The development of precipitating warm clouds is affected by several effects of small-scale air turbulence including enhancement of droplet-droplet collision rate by turbulence, entrainment and mixing at the cloud edges, and coupling of mechanical and thermal energies at various scales. Large-scale computation is a viable research tool for quantifying these multiscale processes. Specifically, top-down large-eddy simulations (LES) of shallow convective clouds typically resolve scales of turbulent energy-containing eddies while the effects of turbulent cascade toward viscous dissipation are parameterized. Bottom-up hybrid direct numerical simulations (HDNS) of cloud microphysical processes resolve fully the dissipation-range flow scales but only partially the inertial …

Early Season Depletion Of Dissolved Iron In The Ross Sea Polynya: Implications For Iron Dynamics On The Antarctic Continental Shelf, Peter N. Sedwick, C. M. Marsay, B. M. Sohst, A. M. Aguilar-Islas, M. C. Lohan, M. C. Long, K. R. Arrigo, R. B. Dunbar, M. A. Saito, W. O. Smith, G. R. Ditullio

OES Faculty Publications

The Ross Sea polynya is among the most productive regions in the Southern Ocean and may constitute a significant oceanic CO₂sink. Based on results from several field studies, this region has been considered seasonally iron limited, whereby a "winter reserve" of dissolved iron (dFe) is progressively depleted during the growing season to low concentrations (~ 0.1 nM) that limit phytoplankton growth in the austral summer (December-February). Here we report new iron data for the Ross Sea polynya during austral summer 2005-2006 (27 December-22 January) and the following austral spring 2006 (16 November-3 December). The summer 2005-2006 data show …

Kinematic And Dynamic Pair Collision Statistics Of Sedimenting Inertial Particles Relevant To Warm Rain Initiation, Bogdan Rosa, Hossein Parishani, Orlando Ayala, Lian-Ping Wang, Wojciech W. Grabowski

Engineering Technology Faculty Publications

In recent years, direct numerical simulation (DNS) approach has become a reliable tool for studying turbulent collision-coalescence of cloud droplets relevant to warm rain development. It has been shown that small-scale turbulent motion can enhance the collision rate of droplets by either enhancing the relative velocity and collision efficiency or by inertia-induced droplet clustering. A hybrid DNS approach incorporating DNS of air turbulence, disturbance flows due to droplets, and droplet equation of motion has been developed to quantify these effects of air turbulence. Due to the computational complexity of the approach, a major challenge is to increase the range of …