Separation of geochemical anomalies from background has always been a major concern of exploration geochemistry. The search for methods that can make this analysis quantitative and objective aims not only at the reduction of subjectiveness but also at providing an automatic routine in exploration, assisting the interpretation and production of geochemical maps. This report discusses two methodo...

Reactive transport modelling of dissolved CO 2 in porous media iii Dedicated to my parents (late) and eldest sister. iv Reactive transport modelling of dissolved CO 2 in porous media v ABSTRACT The geological sequestration of carbon dioxide (CO 2) is seen as one of the options of mitigating the imbalance of greenhouse gas emissions and to avoid global warming. However, leakage of CO 2 from the ...

In an attempt to quantify the extent of geochemical heterogeneity within a restricted and well dated portion of the upper mantle, 27 chromite separates from the 90 My old chromite deposits in the Mayarı́–Baracoa ophiolite belt in eastern Cuba have been investigated for platinum group element (PGE) concentrations and Re–Os isotopic systematics. The samples are characterized by systematically subc...

Historical sediment nutrient concentrations and heavy-metal distributions were studied in fi ve embayments in the Gulf of Finland and an adjacent lake. Th e main objective of the study was to examine the response of these water bodies to temporal changes in human activities. Sediment cores were collected from the sites and dated using 210Pb and 137Cs. Th e cores were analyzed for total carbon (...

A new method for simulating solute transport and geochemical interactions within fractured rock is presented. This will be an important capability assessing the safety of radioactive waste disposal facilities that are located crystalline bedrock. Specifically, discrete fracture network (DFN) module ConnectFlow groundwater flow software has been updated to: (i) simulate advection diffusion more ...

in this paper,the molecular geometry for three tautomers of uracil and four tautomers of cytosine has been analyzed. vibrational ir spectra of the tautomers were   investigated at hf and b3lyp level using the ab initio 6-31g* and lanl2dz basis sets from the program package gaussian 98 (a.7 public domain version). the physico-chemical and biochemical properties of uracil and cytosine are one of...

objective(s): first principles calculations were performed to study four multiple sclerosis drugs namely, ampyra, fingolimod, mitoxantrone and eliprodil in gas and liquid phases using density functional theory (dft). computational chemistry simulations were carried out to compare calculated quantum chemical parameters for ampyra, fingolimod, mitoxantrone and eliprodil. materials and methods: al...

ab initio calculations were employed to investigate nitrogen inversion as a configuration change that can supply an infinitely useful switchable control mechanism for some complex systems. in this paper, design of a new artificial molecular nanohinge is discussed based on nitrogen inversion in which reciprocating motion of substituent in effect of inversion phenomenon, led to an open–close moti...

background: monte carlo (mc) modeling of a linear accelerator is a prerequisite for monte carlo dose calculations in external beam radiotherapy. in this study, a simple and efficient model was developed for elekta sl-25 linear accelerator using mcnp4c monte carlo code materials and methods: the head of elekta sl-25 linac was simulated for 6 and 18 mv photon beams using mcnp4c mc code. energy sp...