Prediction of Flooding in Packed Liquid-Liquid and High-Pressure Extraction Columns Using a Gaussian Process

Reliable prediction of flooding conditions is needed for sizing and operating packed extraction columns. Due to the complex interplay of physicochemical properties, operational parameters and the packing-specific properties, it is challenging to develop accurate semi-empirical or rigorous models with a high validity range. State of the art models may therefore fail to predict flooding accurately. To overcome this problem, a data-driven model based on Gaussian processes is developed to predict flooding for packed liquid-liquid and high-pressure extraction columns. The optimized Gaussian process for the liquid-liquid extraction column results in an average absolute relative error (AARE) of 15.23 %, whereas the algorithm for the high-pressure extraction column results in an AARE of 13.68 %. Both algorithms can predict flooding curves for different packing geometries and chemical systems precisely.     

Investigation of the action of flame retardants in cellulose. I. Investigation of the flame retardant action of 2,2′-oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane-2,2′-disulfide) in cellulose

Pyrolysis experiments were performed in high vacuum and under reduced air pressure (100 Pa). The volatile products of pure cellulose and cellulose containing various amounts of flame retardant 2,2′-oxybis (5,5-dimethyl-1,3,2-dioxaphosphorinane-2,2′-disulfide), i.e., Sandoflam 5060 of Sandoz AG, were studied by means of gas chromatography in combination with mass spectroscopy. The volatile products were characterized with infrared spectroscopy. The studied revealed that the incorporation of the flame retardant enhanced the water release and shifted the onset of this reaction to lower temperature. On the basis of these findings an explanation for the mechanism of flame retardancy in generated cellulose fibers modified with this particular flame retardant is attempted. From experiments with different residual air pressure the influence of oxygen on the primary processes of the pyrolytic degradation of cellulose is being discussed.     

Influence of Reaction Parameters on the Hydrogenolysis of Hydroxymatairesinol Over Carbon Nanofibre Supported Palladium Catalysts

The density functional theory (DFT/B3LYP) calculations were applied to investigate the interaction of a Pt₆ particle with the ZSM-5 zeolite framework. The electronic structure of the metal particle is strongly affected by the interaction with basic framework oxygens and acid sites of the zeolite support. Adsorption on basic sites (E_ads = 6 kcal/mol) favors the formation of the electron enriched metal cluster. Interaction of the platinum cluster with the acid site characterized by stabilization energy of 47 kcal/mol results in oxidation of the metal particle and suppression of Brønsted acidity of the support. The hypothesis is put forward that the oxidized platinum particle can function as an active site for the alkane isomerisation on platinum supported high silica zeolites.     

Pruning Algorithms for Rule Learning

Pre-pruning and Post-pruning are two standard techniques for handling noise in decision tree learning. Pre-pruning deals with noise during learning, while post-pruning addresses this problem after an overfitting theory has been learned. We first review several adaptations of pre- and post-pruning techniques for separate-and-conquer rule learning algorithms and discuss some fundamental problems. The primary goal of this paper is to show how to solve these problems with two new algorithms that combine and integrate pre- and post-pruning.     

The value of long tendons in design of tunnel layout and support

A project was initiated from hypotheses that the use of longer and different types of tendon support could lead to improved control of tunnel deformation in changing stress fields. An extensive literature study was conducted. Subsequently a tunnel was supported with various lengths and types of cable tendons. The tunnel was subjected to mining-induced stress changes. Tunnel deformations were measured using instrumentation. Results from the literature study and tunnel deformation measurements indicated within context that: (1) long tendons or other support systems cannot substitute for good tunnel layout; (2) long tendons effect a retain-and-hold function while shorter tendons strengthen and reinforce highly fractured tunnel walls; (3) larger boreholes or weakergrout reduce support system stiffness; (4) cable tendons have high shear resistance and debonding tendency; (5) long tendons are beneficial in sidewalls but not the hangingwall, (6) long tendons induce a more stable sidewall deformation distribution; (7) the updip sidewall deformed less than downdip; (8) more deformation occurred with stress decrease than with stress increase.     

Inhalation toxicity of 1,6-hexanediamine dihydrochloride in F344/N rats and B6C3F1 mice

1,6-Hexanediamine (HDA) is a high production volume chemical which is used as an intermediate in the synthesis of paints, resins, inks, and textiles and as a corrosion inhibitor in lubricants. Two- and 13-week studies of the toxicity of the dihydrochloride salt of HDA (HDDC) were conducted in male and female Fischer 344/N rats and B6C3F1 mice using whole-body inhalation exposure. Both species were evaluated for histopathologic and reproductive effects, and rats were examined for clinical chemistry and hematologic changes. In the 2-week inhalation studies, animals were exposed to 10-800 mg HDDC/m3, 6 hr per day. All rats, all female mice, and two of five male mice in the high-exposure group died before the end of the study. Surviving mice in this group had a dose-dependent depression in body weight gain. Clinical signs were primarily related to upper respiratory tract irritation and included dyspnea and nasal discharge in both species. Treatment-related histopathologic lesions included inflammation and necrosis of the laryngeal epithelium of both species and the tracheal epithelium of mice, as well as focal inflammation and ulceration of the respiratory and olfactory nasal mucosa. In the 13-week inhalation studies, animals were exposed to HDDC at concentrations of 1.6-160 mg/m3 for 6 hr per day, 5 days per week. In addition to the base study groups, a supplemental group of rats at each exposure level was included to assess the effect of HDDC on reproduction. No treatment-related changes in organ weights or organ-to-body-weight ratios occurred in rats, and no treatment-related clinical signs or gross lesions were seen in either species. Chemical-related microscopic lesions were limited to the upper respiratory tract (larynx and nasal passages) in the two highest exposure groups and were similar in both species. These lesions included minimal to mild focal erosion, ulceration, inflammation, and hyperplasia of the laryngeal epithelium, in addition to degeneration of the olfactory and respiratory nasal epithelium. HDDC caused no significant changes in sperm morphology or vaginal cytology and no significant adverse effects on reproduction in rats or mice. Hematologic and clinical chemistry changes in rats were minor and sporadic and were not accompanied by related histologic findings. HDDC did not increase the frequency of micronucleated erythrocytes in mice.(ABSTRACT TRUNCATED AT 400 WORDS)     

Isolation and Spectroscopic Characterization of Eu@C72

A new Eu-endohedral fullerene cage, namely, Eu@C₇₂, was synthesized, separated, and a single isomer, Eu@C₇₂-I, has been isolated by multi-step HPLC for the first time and characterized by LDI-TOF mass spectrometry, UV-Vis and EPR spectroscopy. Additionally, a second isomer, Eu@C₇₂-II, has been separated by HPLC and identified by LDI-TOF mass spectrometry.     

In-situ-Messung der Stickoxidkonzentration in turbulenten Diffusionsflammen

Zusammenfassung Die laserspektroskopischen Me?methoden laserinduzierte Fluoreszenz und spontane Ramanspektroskopie werden eingesetzt zur Messung der Konzentrationen von Stickoxid, Hydroxyl sowie der chemischen Hauptkomponenten und der Temperatur. Betrachtet wird die thermische Umsetzung von Wasserstoff mit Luftsauerstoff. Es wird die experimentelle Vorgehensweise und Problematik dargestellt. Ebenso wird der Weg der Modellierung und Berechnung turbulenter Verbrennungsvorg?nge am konkreten Beispiel skizziert. Die Annahme chemischen Gleichgewichts stellt sich als ungenügend in der Berechnung der Stickoxid- und Hydroxylkonzentrationen heraus. Eine deutlich bessere Vorhersage wird durch Einführen einer Reaktionsfortschrittsvariablen für das chemische Modell erreicht.