Systems performance studies

Kobayashi, H., Oxygen Enriched Combustion System Performance Study, Phase I Interim/Final Report, Volume I — Technical and Economic Analysis, U.S. Department of Energy report DOE/ID/12597, Washington, D.C., March 1987. 

Proper condensed phase simulations require that the non-bond interactions between different portions of the system under study be properly balanced. In biomolecular simulations this balance must occur between the solvent-solvent (e.g., water-water), solvent-solute (e.g., water-protein), and solute-solute (e.g., protein intramolecular) interactions [18,21]. Having such a balance is essential for proper partitioning of molecules or parts of molecules in different environments. For example, if the solvent-solute interaction of a glutamine side chain were overestimated, there would be a tendency for the side chain to move into and interact with the solvent. The first step in obtaining this balance is the treatment of the solvent-solvent interactions. The majority of biomolecular simulations are performed using the TIP3P [81] and SPC/E [82] water models. 

Power system stability studies can provide some insight into the effects of power failure. The calculations can become tedious if performed manually because of the iterative steps required to obtain satisfactory answers. Therefore, a computer program is used to supply the iterative answers in a short time and with comparable accuracy. 

Papers dealing with this topic are exhaustively reviewed in Comprehensive Heterocyclic Chemistry I (84CHEC-I(6)235) and II (96CHEC-II(3)373). Nevertheless, little information is available on the 5-oxides. Recently, the heteroaromaticity of thiazole compared with isothiazole and thiadiazole 5,5-dioxide systems was studied (97MI1). Quantum-chemical calculations and X-ray studies were performed on 3,3 -di[l,3-thiazolidin-4-one] derivatives (95JCC(25)589) studied for their potential biological activity (97FA(52)43). 

The activated sludge process for domestic wastewater treatment was introduced to the world in 1914.1 Since then, many studies have been conducted to improve the oxygen transfer efficiency. Among the aeration devices introduced have been a porous diffuser, a filter type diffuser, a mechanical aeration device, an orifice type diffuser and a fine-pore air diffuser. The aeration market is in a substantial state of flux in the USA today. Emphasis on high efficiency has led many intensive research programmes to aim at the evaluation of the design, operation and control processes to improve overall system performance. 

BalHca and Ryu [158] correlated reductions in cell yield in Datura stramonium suspensions with the increased Reynolds stresses associated with higher aeration rates in a 1.2-1 ALR. A more recent study [159] of C. roseus suspensions cultivated in a 1.5-1 bubble column showed that the increased bubble sizes associated with both larger sparger pores and higher aeration rates caused a reduction in system performance. Here, also, it was postulated that the effects were due to increased Reynolds shear stresses in the flow field. However, it was not possible to rule out gas-stripping effects. 

Thomas et al. [72] used a modified force microscope in which a compensatory force was applied to the probe to keep its displacement at zero. With this system they studied interactions between organomercaptan molecules with CH3, NH2, or COOH end groups. All measurements were performed in dry nitrogen. From SEM-measured tip radii and pull-off force they calculated the work of adhesion using the DMT model. They found that the work of adhesion values qualitatively scaled as expected for van der Waals, hydrogen bonding,... 

Patnaik, S., T.G. Lenz, and G.O.G Lof, 1990, Performance study for an experimental solar open-cycle liquid desiccant system, Solar Energy, 44 (3), 123-135. 

The present chapter reviews applications in biocatalysis of the ONIOM method. The focus is on studies performed in our research group, in most cases using the two-layer ONIOM(QM MM) approach as implemented in Gaussian [23], The studied systems include methane monooxygenase (MMO), ribonucleotide reductase (RNR) [24, 25], isopenicillin N synthase (IPNS) [26], mammalian Glutathione peroxidase (GPx) [27,28], Bi2-dependent methylmalonyl-CoA mutase [29] and PLP-dependent P-lyase [30], These systems will be described in more detail in the following sections. ONIOM applications to enzymatic systems performed by other research groups will be only briefly described. 

A number of surface diffraction techniques can be employed in the structural study of electrochemical interfaces, depending on the details of the system under study. For bulk materials or thick films (such that the X-ray beam only samples that layer) conventional diffraction experiments can be performed and, in fact, a number of in situ X-ray diffraction studies of this type have been reported.126 129 In the case of thin films or monolayers, two different techniques can be employed and these are the reflection-diffraction technique introduced by Marra and Eisenberger,3 ), 32 and the technique based on surface truncation rods.131 In the first case, the incident X-ray beam impinges on the sample at an angle below... 

The importance, and the performance, of the FeS/FeS2 system were studied by Kaschke et al. (1994) in Glasgow. They were able to show that the system is capable of reducing carbonyl groups their model substance was cyclohexanone. Although the reactions cannot be regarded as prebiotic, the results agree with thermodynamic calculations on the reductive power of the Fe/S system. 

The investigation of possible utilization of EISA-manufactured layers in electronic applications has started relatively recently, but the already performed studies demonstrate a very high potential of mesoporous films for technologies using interfacial and bulk charge transport. The advantages of the EISA-prepared layers become especially evident when the interfacial charge transfer from the species attached to the interface plays the key role in system performance. 

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