Poly[tetra­kis­(seleno­cyanato-κN)bis­(methanol-κO)tris­(μ-pyrimidine-κ2 N:N′)dicobalt(II)]

In the title compound, [Co2(NCSe)4(C4H4N2)3(CH3OH)2]n, the CoII ion is coordinated by three N-bonded pyrimidine ligands, two N-bonded seleno­cyanate anions and one O-bonded methanol mol­ecule in an octa­hedral coordination mode. The asymmetric unit consists of one CoII ion, one pyrimidine ligand, two seleno­cyanate anions and one methanol mol­ecule in general positions as well as one pyrimidine ligand located around a twofold rotation axis. In the crystal structure, the pyrimidine ligands bridge [Co(CNSe)2(CH3OH)] units into zigzag-like chains, which are further connected by pyrimidine ligands into layers parallel to (010)

Diaqua­bis­(seleno­cyanato-κN)bis­(pyrimidine-κN)manganese(II)

In the crystal structure of the title compound, [Mn(NCSe)2(C4H4N2)2(H2O)2], the manganese(II) cation is coordinated by two N-bonded pyrimidine ligands, two N-bonded seleno­cyanate anions and two O-bonded water mol­ecules in a distorted octa­hedral coordination mode. The asymmetric unit consists of one manganese(II) cation, located on a centre of inversion, as well as one seleno­cyanate anion, one water mol­ecule and one pyrimidine ligand in general positions. The crystal structure consists of discrete building blocks of composition [Mn(NCSe)2(pyrimidine)2(H2O)2], which are connected into layers parallel to (101) by strong water–pyrimidine O—H⋯N hydrogen bonds

Poly[[bis­(μ-4,4′-bipyridyl-κ2 N:N′)bis­(thio­cyanato-κN)manganese(II)] diethyl ether disolvate]

In the title compound, {[Mn(NCS)2(C10H8N2)2]·2C4H10O}n, the MnII ion is coordinated by four N-bonded 4,4′-bipyridine (bipy) ligands and two N-bonded thio­cyanate anions in a distorted octa­hedral coordination geometry. The asymmetric unit consists of one MnII ion and two bipy ligands each located on a twofold rotation axis, as well as one thio­cyanate anion and one diethyl ether mol­ecule in general positions. In the crystal structure, the metal centers with terminally bonded thicyanate anions are bridged by the bipy ligands into layers parallel to (001). The diethyl ether solvent mol­ecules occupy the voids of the structure

Chloridotetra­pyridine­copper(II) dicyanamidate pyridine disolvate

In the crystal structure of the title compound, [CuCl(C5H5N)4][N(CN)2]·2C6H5N, the copper(II) cations are coordinated by one chloride anion and four N-bonded pyridine ligands into discrete complexes. The copper(II) cation shows a square-pyramidal coordination environment, with the chloride anion in the apical position. However, there is one additional chloride anion at 3.0065 (9) Å, leading to a disorted octa­hedral coordination mode for copper. The copper(II) cation, the chloride ligand and the central N atom of the dicyanamide anion are located on twofold rotation axes. Two pyridine solvent molecules are observed in general positions

catena-Poly[(E)-4,4′-(ethene-1,2-di­yl)dipyridinium [[bis­(thio­cyanato-κN)ferrate(II)]-di-μ-thio­cyanato-κ2 N:S;κ2 S:N]]

In the title compound, {(C12H12N2)[Fe(NCS)4]}n, each FeII cation is coordinated by four N-bonded and two S-bonded thio­cyanate anions in an octa­hedral coordination mode. The asymmetric unit consists of one FeII cation, located on a center of inversion, as well as one protonated (E)-4,4′-(ethene-1,2-di­yl)dipyridinium dication and two thio­cyanate anions in general positions. The crystal structure consists of Fe—(NCS)2—Fe chains extending along the a axis, in which two further thio­cyanate anions are only terminally bonded via nitro­gen. Non-coordinating (E)-4,4′-(ethene-1,2-di­yl)dipyrid­inium cations are found between the chains

Tetra­aqua­bis­(pyridine-κN)nickel(II) dinitrate

In the title compound, [Ni(C5H5N)2(H2O)4](NO3)2, the NiII ion is coordinated by two N-bonded pyridine ligands and four water mol­ecules in an octa­hedral coordination mode. The asymmetric unit consists of one NiII ion located on an inversion center, as well as one pyridine ligand, one nitrate anion and two water mol­ecules in general positions. In the crystal structure, the discrete complex cations and nitrate anions are connected by O—H⋯O and C—H⋯O hydrogen bonds

catena-Poly[[bis­[[bis­(3-amino­prop­yl)amine-κ3 N,N′,N′′](thio­cyanato-κN)cadmium]-μ4-sulfato-κ4 O,O:O′,O′] methanol hemisolvate]

The asymmetric unit of the title compound, {[Cd2(NCS)2(SO4)(C6H17N3)2]·0.5CH3OH}n, consists of two Cd2+ cations, two thio­cyanate and one sulfate anion, two bis­(3-amino­prop­yl)amine co-ligands and one methanol molecule with half-occupancy. Each Cd2+ cation is coordinated by four N atoms of one terminal N-bonded thio­cyanate anion and one bis­(3-amino­prop­yl)amine co-ligand, and by two O atoms of two symmetry-related sulfate anions, defining a slightly distorted octa­hedral coordination polyhedron. Each two Cd2+ cations are connected into dimers, which are located on centres of inversion and which are further μ-1,1:3,3-bridged via the sulfate anions into polymeric zigzag chains along the a axis

Doctor of Philosophy

dissertationGeology plays an important role in the subsurface reservoir flow processes. It is necessary to understand the interaction of geology and multiphase physics in various settings. This work investigates the interaction of multiple types of fluids in different depositional settings. The first study is an investigation of risk analysis of carbon dioxide sequestration in a relatively homogenous sandstone. To properly screen sequestration sites it is necessary to understand how different geologic parameters influence potential risk factors. This is achieved by using a methodology that combines experimental designs with Monte Carlo sampling to develop probability density functions of these critical risk factors. These probability density functions can be used as a first-order screening method during geologic sequestration site selection. The second study involves a full field study to understand the potential for long-term subsurface storage of carbon dioxide given a highly detailed geologic model with limited field production history. An application of best practices for a single well pattern is applied to the northern platform of the SACROC reservoir to determine the ideal conditions for economic return and carbon dioxide sequestration. It is found that either sequestration or oil recovery must be the primary goal with the other becoming secondary. The final investigation involves a unique reservoir type where all fluid flows in faults and fractures rather than the matrix. This investigation attempts to understand the flow dynamics under various geologic and fluid parameter ranges to develop a method for history matching these reservoirs. This is done using a simple model for a parametric study which will assist in understanding the production controls in basement reservoirs. This investigates whether low-rate recoveries will achieve higher overall recoveries due to the flow dynamics in faults and fractures. In no scenario was it possible to recover a higher volume of oil at lower recovery rates unless the geologic parameters are flow rate dependent, which is difficult to justify at this time. In each of these studies the impact of the geological parameters is used to determine either the risk factors or to develop optimal methods for economic recovery of reservoir fluids

Bis(dicyanamido-κN)tetra­kis­(pyridazine-κN)nickel(II)

Reaction of nickel(II) chloride with sodium dicyanamide and pyridazine leads to single crystals of the title compound, [Ni{N(CN)2}2(C4H4N2)4], in which the NiII cation is octa­hedrally coordinated by two dicyanamide anions and four pyridazine ligands into a discrete complex that is located on a center of inversion