IDENTIFICATION OF NITROGEN COMPOUNDS AND THEIR EVOLUTIONDURINGAGEING NABSENCE ANDPRESENCE OF ADDITIVES EFFICIENCYOFHYDROTREATMENT

As established by several previous works, nitrogen compounds play a prominent role in the evolution of middle distillates containing cracked components, particularly regarding sediment formation and color evolution.

In a first part, this paper describes and compares stability properties of fuel blends using both an accelerated ageing method at 120°C (248°F ) and long term storage methods at 43°C(110°F) -ASTM 0 4625 - and at ambient temperature. Effectiveness of stabilizing additives is also evaluated. In mixtures containing LCOs, insoluble products are formed progressively during ageings, more or less rapidly according to the chemical constitution of the mixtures.

Then, it reports the complete identification of nitrogen compounds using gas chromatography equipped with a selective nitrogen detector and mass spectrometry showing that in light cycle oils, alkyl indoles and carbazoles are the main families.

Evolution of these compounds was followed kinetically during ageings in absence and presence of additives and alkyl indoles appeared as the moat evolutionary.

It appeared that some additives avoided evolutions of alkyl indoles without preventing sediment formation and color evolution. Oxidation mechanism involving nitrogen compounds should not be the only one to explain the storage evolutions of middle distillates.

Hydrotreatment converts all the alkyl indoles of LCO and prevents coloration end deposits in the storage of the mixtures of steaight-run distillates and LCOs.     

Fault diagnosis as an aid to process machine reliability

Identification of the reasons for failures of process plant machines is the first step in obtaining increased reliability. Weibull analysis of the service life obtained from maintenance records requires a minimum of only five incidents and provides an insight into the failure mechanism. Two examples are given where Weibull analysis of maintenance records helped identify the cause of failure and was instrumental in achieving enhanced reliability of process plant machines.     

Vapor-liquid equilibria in the argon-methane system

Vapor-liquid equilibrium compositions have been measured for the argon-methane system at 115.2°, 123.4° and 137.1°K, by means of a forced-recirculation apparatus. A modified Redlich-Kwong equation of state with the incorporation of a binary interaction constant has been successfully employed to represent the data. Liquid activity coefficients have been evaluated and correlated.     

Solving multicolumn equilibrium stage operations by total linearization

An efficient, reliable and easily programmed method for solving systems of equilibrium stage separation devices is described. The method is an extension of an algorithm developed by Ishii and Otto⁽⁹⁾ for single columns. It solves all equations simultaneously, takes advantage of the basic tridiagonal matrix form form of the linearized steady state equations and can handle configurations which include distillation columns, absorbers and reboiled absorbers. The solution for a thermally coupled distillation system is presented.     

Airflow in a slot-ventilated enclosure partially filled with porous boxes: Part I - Measurements and simulations in the clear region

A reduced-scale model and CFD predictions were used to investigate experimentally and numerically the airflow patterns within a ceiling slot-ventilated enclosure partially loaded with vented boxes filled by spherical objects. The experiments were carried out using laser Doppler velocimetry. Airflows around and inside porous boxes were predicted taking into account their aerodynamic interactions. This work is divided into two parts. This paper presents part I and concerns the air velocity characteristics within the jet above the boxes, while Part II deals with the air velocity characteristics inside the boxes. The results highlight the confinement effect due to the enclosure and the influence of load porosity on jet penetration, its development and hence the heterogeneity of ventilation within the enclosure. The numerical predictions obtained with the computational fluid dynamics Fluent package using the RSM turbulence model show reasonable agreement with experimental data. Predicted velocity profiles were generally within an error of 3-30% of the measured velocities.     

A DSS for integrated distribution of empty and full containers

A DSS integrating empty and full containers transshipment operations is presented, addressing the typically unbalanced export/import containers trading problem. The problem is modeled as a network, where nodes represent customers, leasing companies, harbors and warehouses, while arcs represent transportation routes. The underlying mathematical model operates in stages, first prioritizing and adjusting full containers demands considering available empty containers supplies, and then statically optimizing costs. Transportation routes are registered and dynamically controlled, cyclically, for a given time horizon. The DSS is flexible, allowing several parameters to be configured. Experimental examples using randomly generated parameters were conducted to evaluate the effectiveness of the system.     

Unraveling Membrane Perturbations Caused by the Bacterial Riboregulator Hfq

Hfq is a pleiotropic regulator that mediates several aspects of bacterial RNA metabolism. The protein notably regulates translation efficiency and RNA decay in Gram-negative bacteria, usually via its interaction with small regulatory RNAs. Previously, we showed that the Hfq C-terminal region forms an amyloid-like structure and that these fibrils interact with membranes. The immediate consequence of this interaction is a disruption of the membrane, but the effect on Hfq structure was unknown. To investigate details of the mechanism of interaction, the present work uses different in vitro biophysical approaches. We show that the Hfq C-terminal region influences membrane integrity and, conversely, that the membrane specifically affects the amyloid assembly. The reported effect of this bacterial master regulator on membrane integrity is discussed in light of the possible consequence on small regulatory RNA-based regulation.     

Next-Generation Grade and Survival Expression Biomarkers of Human Gliomas Based on Algorithmically Reconstructed Molecular Pathways

In gliomas, expression of certain marker genes is strongly associated with survival and tumor type and often exceeds histological assessments. Using a human interactome model, we algorithmically reconstructed 7494 new-type molecular pathways that are centered each on an individual protein. Each single-gene expression and gene-centric pathway activation was tested as a survival and tumor grade biomarker in gliomas and their diagnostic subgroups (IDH mutant or wild type, IDH mutant with 1p/19q co-deletion, MGMT promoter methylated or unmethylated), including the three major molecular subtypes of glioblastoma (proneural, mesenchymal, classical). We used three datasets from The Cancer Genome Atlas and the Chinese Glioma Genome Atlas, which in total include 527 glioblastoma and 1097 low grade glioma profiles. We identified 2724 such gene and 2418 pathway survival biomarkers out of total 17,717 genes and 7494 pathways analyzed. We then assessed tumor grade and molecular subtype biomarkers and with the threshold of AUC > 0.7 identified 1322/982 gene biomarkers and 472/537 pathway biomarkers. This suggests roughly two times greater efficacy of the reconstructed pathway approach compared to gene biomarkers. Thus, we conclude that activation levels of algorithmically reconstructed gene-centric pathways are a potent class of new-generation diagnostic and prognostic biomarkers for gliomas.     

Back and forth between continuous and discrete for the working computer scientist

This paper gives a perfect, ideal, discretization of continuous notions. This is a very convenient frame to treat continuous problems or theories with the help of a computer. This is illustrated by the conversion of algorithms using real numbers into algorithms using integers only and the founding of discrete geometry.     

Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling

Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/TZVP, and, partially, the MP2 method, the possibility of the existence of 3d-element (M) compounds with nitrogen having unusual M: nitrogen ratio 1:12, unknown for these elements at the present, was shown. Structural parameter data were presented. It was shown that all MN4 groupings have tetragonal-pyramidal structure. It was noted that the bond lengths formed by nitrogen atoms and an M atom were equal to each other only in the case of M = Ti, V, Cr and Co, whereas for other Ms, they were slightly different; moreover, the bond angles formed by nitrogen atoms and an M atom were equal to 90.0°, or practically did not differ from this value. Thermodynamic parameters, NBO analysis data and HOMO/LUMO images for this compound were also presented. Good agreement between the calculated data obtained using the above three quantum chemical methods was also noted.