A reduction method for phase stability testing and flash calculations

ACTInternational audienc

A lumping-delumping procedure for multiphase equilibrium calculations in hydrocarbon mixtures

ACTInternational audienc

On the choice of independent variables for multiphase equilibrium calculations

ACTInternational audienc

On a choice of independent variables in Newton iterations for multiphase flash calculations

ACLInternational audienceMultiphase split calculations consist in the minimization of the Gibbs free energy. If the second-order Newton method is used, either component mole numbers or the logarithms of equilibrium constants (lnK) are selected as independent variables. Several recent papers advocated the use of the phase mole fractions together with lnK as independent variables in Newton iterations (lnK-θ). Unlike in the lnK approach, there is no explicit resolution of the Rachford-Rice (RR) equations, which are solved implicitly during the Newton update. The resulting linear system is non-symmetric and is solved by Gaussian elimination. In this study, this latter choice of variables is analyzed in detail, and an efficient formulation is proposed in which algebraic transformations are used to recast the lnK-θ method in a way that enables using the symmetry efficiently, both for constructing the Jacobian matrix and for solving the linear system of equations using a Cholesky factorization. Taking advantage of the block structure of the Jacobian matrix, it is revealed that the matrix of the linear system is formally identical to the Jacobian of lnK (evaluated at a lower implicitness level) and phase mole fraction can be updated separately using the partial solution of this system. Numerical experiments carried out on several multiphase mixtures exhibiting complex phase envelopes show the robustness and the efficiency of the proposed approach as compared to the original lnK-θ methodology, with the observed computational time savings up to 25%. © 2016 Elsevier B.V

Development of a method for predicting the ignition of explosive atmospheres by mechanical friction and impacts (MECHEX)

International audienceMechanical friction and impacts is still today a main cause of ignition of explosive atmospheres (ATEX) in the industry and this trend seems to be stable in time. This situation certainly results from a significant gap of knowledge in the underlying mechanisms so that the parameters to play on are not precisely identified. In this programme of European dimensions, the process of degradation of the mechanical energy into heat during friction and impacts have been studied. An extensive experimental programme is presented to this end. The mechanisms of dissipation of the mechanical energy into heat during friction has been studied with rubbing machines in which a slider equipped with temperature sensors rubs against a rotating wheel. For impacts, a new device has been developed using a special "air driven cannon" to propel a projectile accurately up to 50 m/s onto an inclined target. A very significant effort has been reserved to the investigation of the ignition mechanisms, not only for ATEX but also for dust accumulations. Some "simple" modelling is proposed on purpose of practical applications. For frictional situations, a critical rubbing power is calculated without any limitations about any lower boundary concerning the rubbing velocity. For "impacts", the relevant parameter for ignition is not the kinetic energy of the projectile but its velocity and the nature of the materials