Increasing the life of flare tips

Flare tips are essential for safety. Maintenance is difficult and costly. Flare tips are subjected to high combustion temperatures, thermal cycling, oxidation and marine corrosion. Following a number of flare tip failures an in depth study by Imperial College was carried out into the failure of a flare tip from a UK platform, looking for service life improvement. Materials selection and design solutions were considered. The study considered alternative materials and concluded that materials selection was the smaller part of the answer; design changes can double service life. This study used failure investigation, high temperature experimental and thermo-mechanical modelling analysis. The modelling process simulated two common flaring conditions and correctly predicted the observed failure of initiation and crack propagation from holes used to bolt on flame stabilizing plates to the top of the flare. The calculated thermal stress and strains enabled the low cycle fatigue life and minimum creep life to be predicted. It was concluded that service life could be improved by replacing Incoloy alloy 800HT (UNS N08800) with Inconel alloy 625 (UNS N06625), an alloy with attractive mechanical properties and improved high temperature corrosion resistance. Repositioning or eliminating bolt holes can double service life. Copyright 2008, Society of Petroleum Engineers.

QM/MM simulation of liquid water with an adaptive quantum region.

The simulation of complex chemical systems often requires a multi-level description, in which a region of special interest is treated using a computationally expensive quantum mechanical (QM) model while its environment is described by a faster, simpler molecular mechanical (MM) model. Furthermore, studying dynamic effects in solvated systems or bio-molecules requires a variable definition of the two regions, so that atoms or molecules can be dynamically re-assigned between the QM and MM descriptions during the course of the simulation. Such reassignments pose a problem for traditional QM/MM schemes by exacerbating the errors that stem from switching the model at the boundary. Here we show that stable, long adaptive simulations can be carried out using density functional theory with the BLYP exchange-correlation functional for the QM model and a flexible TIP3P force field for the MM model without requiring adjustments of either. Using a primary benchmark system of pure water, we investigate the convergence of the liquid structure with the size of the QM region, and demonstrate that by using a sufficiently large QM region (with radius 6 Å) it is possible to obtain radial and angular distributions that, in the QM region, match the results of fully quantum mechanical calculations with periodic boundary conditions, and, after a smooth transition, also agree with fully MM calculations in the MM region. The key ingredient is the accurate evaluation of forces in the QM subsystem which we achieve by including an extended buffer region in the QM calculations. We also show that our buffered-force QM/MM scheme is transferable by simulating the solvated Cl(-) ion.

Characterisation of cell adhesion to substrate materials and the resistance to enzymatic and mechanical cell-removal

Cell-implant adhesive strength is important for prostheses. In this paper, an investigation is described into the adhesion of bovine chondrocytes to Ti6Al4V-based substrates with different surface roughnesses and compositions. Cells were cultured for 2 or 5 days, to promote adhesion. The ease of cell removal was characterised, using both biochemical (trypsin) and mechanical (accelerated buoyancy and liquid flow) methods. Computational fluid dynamics (CFD) modelling has been used to estimate the shear forces applied to the cells by the liquid flow. A comparison is presented between the ease of cell detachment indicated using these methods, for the three surfaces investigated. © 2008 Materials Research Society.