Selection of adequate optimization criteria in chromatographic separations

Computer-assisted optimization of chromatographic separations is still a fruitful activity. In fact, advances in computerized data handling should make the application of systematic optimization strategies much easier. However, in most contemporary applications, the optimization criterion is not considered to be a key issue (Vanbel, J Pharm Biomed, 21:603–610, 1999). In this paper, an update of the importance of selecting adequate criteria in chromatographic separation is presented.     

Optimizing the source distribution in fluid mixing

A passive scalar is advected by a velocity field, with a nonuniform spatial source that maintains concentration inhomogeneities. For example, the scalar could be temperature with a source consisting of hot and cold spots, such that the mean temperature is constant. Which source distributions are best mixed by this velocity field? This question has a straightforward yet rich answer that is relevant to real mixing problems. We use a multiscale measure of steady-state enhancement to mixing and optimize it by a variational approach. We then solve the resulting Euler-Lagrange equation for a perturbed uniform flow and for simple cellular flows. The optimal source distributions have many broad features that are as expected: they avoid stagnation points, favour regions of fast flow, and their contours are aligned such that the flow blows hot spots onto cold and vice versa. However, the detailed structure varies widely with diffusivity and other problem parameters. Though these are model problems, the optimization procedure is simple enough to be adapted to more complex situations.     

Pareto optimal solutions of a cost–time trade-off bulk transportation problem

A cost–time trade-off bulk transportation problem with the objectives to minimize the total cost and duration of bulk transportation without according priorities to them is considered. The entire requirement of each destination is to be met from one source only; however a source can supply to any number of destinations subject to the availability of the commodity at it. Two new algorithms are provided to obtain the set of Pareto optimal solutions of this problem. This work extends and generalizes the work related to single-objective and prioritized two-objective bulk transportation problems done in the past while providing flexibility in decision making.     

Evaluation of the potential of nonlinear gradients for separating a ternary mixture

The potential of applying nonlinear gradients in preparative chromatography is evaluated theoretically and experimentally. The second eluting component of a ternary model mixture is considered as the target component. Systematic gradient resolution experiments were conducted for this mixture using reversed phase chromatography. In preliminary experimental investigations the effect of the mobile phase composition on the specific distribution equilibria was quantified. Concave and convex solvent strength gradients were analysed and compared with conventional linear gradients. Main result of the study is the fact that significant improvement in productivity can be achieved if the gradient shapes are designed carefully.     

Fuzzy profit measures for a fuzzy economic order quantity model

Changing economic conditions make the selling price and demand quantity more and more uncertain in the market. The conventional inventory models determine the selling price and order quantity for a retailer’s maximal profit with exactly known parameters. This paper develops a solution method to derive the fuzzy profit of the inventory model when the demand quantity and unit cost are fuzzy numbers. Since the parameters contained in the inventory model are fuzzy, the profit value calculated from the model should be fuzzy as well. Based on the extension principle, the fuzzy inventory problem is transformed into a pair of two-level mathematical programs to derive the upper bound and lower bound of the fuzzy profit at possibility level α. According to the duality theorem of geometric programming, the pair of two-level mathematical programs is transformed into a pair of conventional geometric programs to solve. By enumerating different α values, the upper bound and lower bound of the fuzzy profit are collected to approximate the membership function. Since the profit of the inventory problem is expressed by the membership function rather than by a crisp value, more information is provided for making decisions.     

Multicommodity long-term hydrogeneration optimization with capacity and energy constraints

The work presented deals with long-term hydrogeneration optimization in integrated systems when there are no limitations on the availability of fuels for thermal units. A multicommondity network model represents hydrovariables. Hydrogeneration and its unavailability distribution is modeled as a multiblock distribution and a procedure is derived to convolve the hydropower unavailability distribution with the load duration curve. A suitable approximation of the expected production cost is minimized subject to multicommodity network constraints and to hydropower capacity and hydroenergy limit nonlinear constraints. It can be applied to systems with hydrogeneration regardless of its proportion of hydrothermal mix. A realistic case example is solved and the results are discussed. Simulation tests performed with many inflow sequences validate the results obtained.     

A proposal for a hybrid meta-strategy for combinatorial optimization problems

In this paper, we propose an algorithm named BDS (Bound-Driven Search) that combines features of exact and approximate methods. The proposed procedure may be seen as a local search algorithm that systematically explores (in a branch-and bound sense) the most promising nodes, thus preventing solutions from being reevaluated. Additionally, it can be regarded as an exact method as it may be able to guarantee that the solution found is optimal. We present the application of this new algorithm to a specific problem domain: the permutation flow shop scheduling problem with makespan objective. The subsequent computational experiments are encouraging, as the algorithm is able to yield exact or near exact solutions to most instances of the problem. Furthermore, the algorithm outperforms one of the best state-of-the-art algorithms for the problem.     

Optimization of supercritical fluid extraction of saikosaponins from Bupleurum falcatum with orthogonal array design

Supercritical fluid extraction (SFE) was used to extract saikosaponins a, c and d from the root of Bupleurum falcatum. An orthogonal array design L₉(3)⁴ was employed as a chemometric method for the optimization of the SFE conditions. The effects of four factors including pressure (30–40 MPa), temperature (40–50°C), ethanol concentration (60–100%) and time (2.5–3.5 h) on the yields of saikosaponins were investigated by a preparative SFE system in the SFE mode. Under the optimized conditions, namely 35 MPa of pressure, 45°C of temperature, 80% of ethanol concentration and 3.0 h of time, the yields of saikosaponin c, saikosaponin a, saikosaponin d, total saikosaponins and SFE extract were 0.16, 0.12, 0.96, 1.24 and 16.48 mg/g, respectively. Determinations of the saikosaponins were performed by HPLC.     

Optimization of simulated moving bed chromatography with fractionation and feedback: Part II. Fractionation of both outlets

A new improvement based on outlet fractionation and feedback has been developed for simulated moving bed (SMB) chromatography. In this contribution, this fractionation and feedback SMB (FF-SMB) concept is extended to the general scenario which integrates a simultaneous fractionation of both outlet streams. A model-based optimization approach, previously adopted to investigate single fractionation, is extended to consider this flexible fractionation policy. Quantitative optimization studies based on a specific separation problem reveal that the double fractionation is the most efficient operating scheme in terms of maximum feed throughput, while the two existing single fractionation modes discussed in our previous study are also significantly superior to the conventional SMB operation. The advantages of the double fractionation extension are further demonstrated in terms of several more detailed performance criteria. In order to evaluate the applicability of the fractionation and feedback modification, the effect of product purity, adsorption selectivity, column efficiency and column number on the relative potential of FF-SMB over SMB is examined.