Coal liquefaction kinetics have been studied at very short reaction times (less than 250 seconds) in order to emphasize the initial underlying physical and chemical processes involved. These studies were made possible by the use of a continuous flow stirred tank reactor (CSTR) which avoids the problems of slow heat up and cool down associated with the massive equipment required for running high-temperature and high-pressure liquefaction reactions. Preliminary physical (NMR and ESR) and chemical analytical results are presented on the coal liquids and reaction residues from Illinois No. 6 hv bituminous and Wyodak Black Thunder subbituminous coals.
ESR results showed that radical concentration in the solid residue changed during coal liquefaction. These changes were accompanied by changes in the NMR-derived aromaticity. The rate of decrease of organic-based radicals was different for Wyodak Black Thunder and Illinois No. 6 coals, perhaps indicating a different mechanism for the quenching of radicals in these bituminous and subbituminous coals. NMR spectra of the liquid products indicated that the initially produced material was relatively aromatic, and that subsequent products had lower aromatic content. This is consistent with secondary hydrogenation of the primary liquefaction products. Finally, the total oxygen contents of the coal residues decreased gradually during the first three minutes of coal liquefaction at 390°C. A corresponding decrease in the hydroxyl content of these residues was also noted. 相似文献
The phase separation behavior of dilute polydisperse polymer solutions primarily depends on the partial concentration of each polymer component. So the equilibrium data obtained by turbidimetric titration with “calibration” fractions and their mixtures can be used for the construction of a solubility diagram (Claesson-diagram) which generally allows to describe fractionation processes. It can be shown that the characteristic features of precipitation fractionations can well be derived from the solubility diagram. This diagram then offers the possibility for a complete discussion of parameter variation (concentration, step of γ-variation, process-scheme, temperature, solvent/nonsolvent-system) on the efficiency of a fractionation step. On one hand these results correspond – as for the concentration variation – to well known experimentell experiences. On the other hand it is possible for the first time to give definite predictions for the influence of temperature and the solvent/nonsolvent system. The temperature selection can be shown to be inconsiderable for the separation effect. The usual characterization of solvents and nonsolvents as “good” or “poor” is absolutely insufficient, if not misleading, for there is no connection between these properties and the shape of the solubility diagram. Based on the analysis of the single parameters the optimum conditions for the preparation of narrow preparation of narrow precipitation fractions can be derived. 相似文献
High-throughput experimentation in catalysis comprises the following components: (i) automated high-throughput synthesis, (ii) testing in Stage I and Stage II, for which to some extent novel assays are necessary, (iii) data handling and experimental design tools, and (iv) robotics. This contribution covers these topics, using examples from the research of the authors, but also from the literature, in order to illustrate the problems and opportunities associated with high-throughput experimentation in catalysis, focusing particularly on heterogeneous catalysis. 相似文献
The effect of screw wear on the performance of a 2.5 in. diameter extruder is studied with the aid of computer simulations. The effect of progressively increasing flight clearance on the extrusion of low density polyethylene, polypropylene and nylon 6/6 is presented. The remedial effect of increased screw speed and its side effects on melting behavior, solids content, extrudate temperature and power consumption are also described. 相似文献
The Nelder-Mead simplex method is an optimization routine that works well with irregular objective functions. For a function of $n$ parameters, it compares the objective function at the $n+1$ vertices of a simplex and updates the worst vertex through simplex search steps. However, a standard serial implementation can be prohibitively expensive for optimizations over a large number of parameters. We describe an implementation of the Nelder-Mead method in parallel using a distributed memory. For $p$ processors, each processor is assigned $(n+1)/p$ vertices at each iteration. Each processor then updates its worst local vertices, communicates the results, and a new simplex is formed with the vertices from all processors. We also describe how the algorithm can be implemented with only two MPI commands. In simulations, our implementation exhibits large speedups and is scalable to large problem sizes. 相似文献
The fatty acid composition of phospholipids from the Senegalese spongeCinachyrella alloclada was examined. Two new fatty acids not hitherto found in nature, namely 10,13-octadecadienoic acid and 16-tricosenoic acid,
were identified. 8-Hexadecenoic, 13-nonadecenoic and 5,9,13-trimethyltretradecanoic fatty acids were also found for the first
time in sponges. The latter compound (1.4% of the total fatty acid mixture), an isoprenoid fatty acid, accompanies the major
fatty acid 4,8,12-trimethyltridecanoic acid (19.7%). The monomethyl branched fatty acids (22%) identified include 23-methylpentacosanoic
acid (anteiso-26∶0), not previously observed in sponged. The major long-chain fatty acids encountered were the known 17-tetracosenoic
19-heptacosadienoic and 5,9,23-tricontatrienoic acid. Some sixty fatty acids were identified as methyl esters andN-acyl pyrrolidides by gas chromatography and gas chromatography/mass spectrometry. 相似文献
In this report a survey is given on structure and properties of polyacrylamide homopolymers (PAAm) in solution. However the review is restricted to all those papers, where a molecular characterization of the polymers has been achieved as a basis to correlate this fundamental information with applicational properties.
Different polymerization methods are summarised in brief, the preparation and solution structure of long chain branched polyacrylamides as well as chemical modification reactions of linear PAAm are also mentioned. A number of experimental characterization methods (GPC, ultracentrifugation, intrinsic viscosity, and light scattering measurements) are described with special emphasis on the difficulties of the different procedures including some proposals for properly designed experimental techniques. The state of solution is discussed in view of experimental data obtained with different solvents. Moreover viscosity constant ø is calculated for aqueous solution and the unperturbed dimensions are estimated. All available data on cross correlations (e.g. [η] - M, S0 - M, 2>1/2 - M) are collected with the intention to give a survey of established relations and, comparing the given relationships, to suggest the reliable ones of them.
The phenomenon of long-term viscosity decrease of aqueous PAAm solutions has been investigated and discussed with regard to its molecular origin.
The viscoelastic properties are discussed in dependence on molecular weight, concentration, solvent quality, and shear rate (106 · s−1). Based on these data a simple equation was developed oped for the η0-c-M relationship, which can be applied to other polymer systems as well. It is further described that the elastic nature (first normal stress difference) may overwhelm the viscous nature (shear stress) at relatively low shear rates. This high elasticity can cause deviation from laminar flow conditions. Moreover, it can be demonstrated — based on instationary measurements as well as the comparison of steady shear flow with dynamic rheology — that energetic interactions (H-bonds) strongly influence the rheological behaviour. 相似文献