Supercritical water for environmental technologies

OVERVIEW: Supercritical water is a great medium in which to perform chemical reactions and to develop processes. Due to its unique thermo‐physico‐chemical properties, supercritical water is able to play the role of solvent of organic compounds and/or to react with them. These specific properties have been used since the 1990s to develop new technologies dedicated to the environment and energy. IMPACT: Supercritical water based technologies are innovative and efficient processes having a strong impact on society, the environment and the economy, and is termed a sustainable technology. APPLICATIONS: Three main applications for supercritical water technology are under development: (i) supercritical water oxidation (SCWO); (ii) supercritical water biomass gasification (SCBG); and (iii) hydrolysis of polymers in supercritical water (HPSCW) for composites/plastics recycling. In this paper some fundamentals of supercritical water are first presented to introduce the above three major developments. Then these technologies are reviewed in terms of their present and future industrial development and their impact on the environment and on energy production. Copyright © 2010 Society of Chemical Industry     

Hull-form stochastic optimization via computational-cost reduction methods

In this paper, analytical functions for the estimation of the temperature-dependent behaviors of poorly and highly dispersed graphene oxide reinforced nanocomposite (GORNC) materials are studied in the framework of a machine learning-based approach. The validity of the presented models is shown comparing the results achieved from this modeling with those reported in the open literature. Also, the application of the obtained functions in solving the thermal buckling problem of beams constructed from such nanocomposites is demonstrated based on an energy-based method incorporated with a shear deformable beam hypothesis. The verification of the results indicates that the presented mechanical model can approximate the buckling behaviors of nanocomposite beams with remarkable precision. It can be realized from the results that the temperature plays an indispensable role in the determination of the buckling load which can be endured by the nanocomposite structure.

     

A variable-accuracy metamodel-based architecture for global MDO under uncertainty

A method for simulation-based multidisciplinary robust design optimization (MRDO) of problems affected by uncertainty is presented. The challenging aspects of simulation-based MRDO are both algorithmic and computational, since the solution of a MRDO problem typically requires simulation-based multidisciplinary analyses (MDA), uncertainty quantification (UQ) and optimization. Herein, the identification of the optimal design is achieved by a variable-accuracy, metamodel-based optimization, following a multidisciplinary feasible (MDF) architecture. The approach encompasses a variable (i) density of the design of experiments for the metamodel training, (ii) sample size for the UQ analysis by quasi Monte Carlo simulation and (iii) tolerance for the multidisciplinary consistency in MDA. The focus is on two-way steady fluid-structure interaction problem, assessed by partitioned solvers for the hydrodynamic and the structural analysis. Two analytical test problems are shown, along with the design of a racing-sailboat keel fin subject to the stochastic variation of the yaw angle. The method is validated versus a standard MDF approach to MRDO, taken as a benchmark and solved by fully coupled MDA, fully converged UQ, without metamodels. The method is evaluated in terms of optimal design performances and number of simulations required to achieve the optimal solution. For the current application, the optimal configuration shows performances very close to the benchmark solution. The convergence analysis to the optimum shows a promising reduction of the computational cost.     

Technical description of the CENBG nanobeam line

Two years ago, the CENBG has commissioned the AIFIRA (Application Interdisciplinaire des Faisceaux d’Ions en Aquitaine) facility for the development of an interdisciplinary research program based on a 3.5 MV Singletron^? accelerator (HVEE, The Netherlands). In addition to the existing beam lines, this facility is being equipped with a high demagnification focused beam line allowing the focusing of protons, deuterons and alpha particles down to a sub-micrometer resolution. This so-called “nanobeam line”, based on a long working distance doublet–triplet of Oxford Microbeams Ltd., OM-50^? quadrupoles, is at its final stage of development. The chosen layout of the beam line has been computed in details using the GEANT4 simulation toolkit. In the simulations, experimental measurements of the beam emittance at the entrance slits have been used to obtain more realistic beam distributions and intensities along the full beam line. According to these simulations, a beam resolution of about 300 nm in high current mode and below 100 nm in STIM mode is expected. The components of the beam line have been mounted at the 0° output of the Singletron^? switching magnet and the fine alignment will be performed using the ion beam in the coming weeks.In the present paper, all the major components of the CENBG nanobeam line are described in details.     

Derivative-free global ship design optimization using global/local hybridization of the DIRECT algorithm

The application of global/local hybrid DIRECT algorithms to the simulation-based hull form optimization of a military vessel is presented, aimed at the reduction of the resistance in calm water. The specific features of the black-box-type objective function make the problem suitable for the application of DIRECT-type algorithms. The objective function is given by numerical iterative procedures, which could lead to inaccurate derivative calculations. In addition, the presence of local minima cannot be excluded a priori. The algorithms proposed (namely DIRMIN and DIRMIN-2) are hybridizations of the classic DIRECT algorithm, with deterministic derivative-free local searches. The algorithms’ performances are first assessed on a set of test problems, and then applied to the ship optimization application. The numerical results show that the local hybridization of the DIRECT algorithm has beneficial effects on the overall computational cost and on the efficiency of the simulation-based optimization procedure.     

An on-line protein digestion device for rapid peptide mapping by electrospray mass spectrometry

A simple laboratory-constructed device has been developed for fast on-line protein digestion followed by peptide mapping by use of electrospray mass spectrometry. Taking advantage of its nonsolubility properties at near-neutral pH values, pepsin could be nonpermanently attached to the PEEK tube commonly employed as transfer capillary between the syringe and the electrospray ion source. After optimization of experimental conditions such as pH, solvent, and exposure time, efficient digestion of several model proteins of molecular weights between 14,000 and 66,000, some having disulfide bridges, was successfully carried out. This technique provided reliable and reproducible sequence information by means of C-terminal-specific cleavages of aromatic and hydrophobic residues. As an application, protein identification could be achieved using a protein database search software.     

Kinetics of pheophytin-A photodecomposition in extra virgin olive oil

The amount of pheophytin-A in extra virgin olive oil was determined by reverse-phase high-performance liquid chromatography (HPLC) with chlorophyll-A as an internal standard. The kinetics of pheophytin-A photodecomposition at 15, 40 and 50°C at three different luminous energies were studied. The pheophytin-A photodecomposition process develops according to a first-order reaction. From the Arrhenius’ straight lines, it appears that the incident luminous energy does not change the activation energy but increases the reaction frequency factor.     

Stabilization of gas-phase noncovalent macromolecular complexes in electrospray mass spectrometry using aqueous triethylammonium bicarbonate buffer

The use of triethylammonium bicarbonate (TEAB) solution in electrospray mass spectrometry proved to be a very efficient way for studying proteins or noncovalent protein complexes under "nondenaturing" conditions. The low charge states observed in the mass spectra improve the separation of ions arising from macromolecular species of close masses. Moreover, the multiply charged ions generated in a TEAB solution are significantly more stable than those formed under more conventional conditions (for example, with ammonium bicarbonate or acetate solution). The analytical interest of TEAB for the analysis of macromolecular species that can easily dissociate in the gas phase, such as hemoglobin or other macromolecular noncovalent complexes, is demonstrated.