Efficient integration of optimal solvent and process design using molecular clustering

We present a molecular clustering approach for the efficient incorporation of solvent design information into process synthesis in the integrated design of solvent/process systems. The approach is to be used in conjunction with an integrated solvent/process design approach where the solvent design stage utilises multi-objective optimisation in order to identify Pareto optimal solvent candidates that are subsequently evaluated in a process synthesis stage. We propose to introduce the solvent design information into the process synthesis stage through the use of molecular clusters. The partitioning of the original Pareto optimal set of solvents leads to smaller compact groups of similar solvent molecules from which representative molecules are introduced into the process synthesis model as discrete options to determine the optimal process performance associated with the optimal solvent. We investigate two clustering strategies, serial and parallel clustering, that allow to effectively exploit the solvent-process design interactions to minimise the computational demands of the process synthesis stage. We further propose a clustering heuristic probability that can aid decision making in clustering and can significantly accelerate the search for the best integrated solvent-process systems. The presented method is illustrated with case studies in the design of solvents for liquid-liquid extraction, gas-absorption and extractive distillation systems.     

Microgels for the Intensification of Liquid-Liquid Extraction Processes – Feasibility and Advantages

Microgels are cross-linked polymers with a high application potential in liquid-liquid systems due to their surface activity and switchable stabilization properties. A process concept utilizing microgels in extraction processes is presented. The microgels are located at the drop surface and prevent coalescence, enabling monodisperse operation. At the column top, the stabilization is switched off by temperature shift. The switchable stabilization and the absence of additional mass transfer resistance are crucial requirements for the concept and tested experimentally. The results provide the basis for the model-based evaluation of the process performance, revealing a broader operating window, capacity increase at equal height equivalent of theoretical stage (HETS) for high loads, and reduced HETS for small loads.     

Measurements and thermodynamic modeling of liquid–liquid equilibria in ternary system 2-methoxy-2-methylpropane+p-cresol+water

Liquid–liquid equilibrium(LLE)data for the ternary system 2-methoxy-2-methylpropane(methyl tert-butyl ether)+ p-cresol + water was measured at atmospheric pressure and temperatures of 298.15 K and 313.15 K.From the distribution coefficients and selectivity,it was found that 2-methoxy-2-methylpropane is an efficient solvent to extract p-cresol from wastewater.The consistency of the experimental tie-line data was verified with the Hand and Bachman equations.These data were also correlated with the non-random two liquid(NRTL)and universal quasi-chemical correlation activity coefficient(UNIQUAC)models to yield binary interaction parameters for p-cresol extraction process evaluation.Both models agreed with experiments very well,yet the NRTL model showed even smaller average deviation than the UNIQUAC model.     

A SIMPLE CORRELATION FOR COALESCENCE RATE CONSTANT IN BATCH TURBULENT LIQUID LIQUID DISPERSIONS

A model for prediction of the coalescence rate in batch turbulent dispersions is developed using the various relevant time scales involved in the process of binary coalescence. The model requires only the knowledge of the steady-state drop volume distribution and not its transient development.     

Population balance modelling of phase inversion in liquid-liquid pipeline flows

Population balance equations (PBEs) along with the equal surface energy criterion are used to predict phase inversion in liquid-liquid dispersed pipeline flows. Good agreement was found between theory and experiment. Our results suggest that an ambivalent range exists in terms of distance from the inlet (rather than volume fraction) which depends on system parameters.     

溶剂脱沥青掺配FCC油浆技术改造

介绍了镇海炼油化工股份有限公司 1996年 12月建成的溶剂脱沥青装置的特点以及 2 0 0 2年 3月的技术改造情况 ,对改造前后的操作参数、产品质量进行了对比。改造后 ,脱沥青油质量提高 ,溶剂脱沥青新的组合工艺经济效益明显     

Numerical solution of the spatially distributed population balance equation describing the hydrodynamics of interacting liquid-liquid dispersions

In liquid-liquid contacting equipment such as completely mixed and differential contactors, droplet population balance based modeling is now being used to describe the complex hydrodynamic behavior of the dispersed phase. For the hydrodynamics of these interacting dispersions this model accounts for droplet breakage, droplet coalescence, axial dispersion, exit and entry events. The resulting population balance equations are integro-partial differential equations (IPDE) that rarely have an analytical solution, especially when they show spatial dependency, and hence numerical solutions are sought in general. To do this, these IPDEs are projected onto a system of convective dominant partial differential equations by discretizing the droplet diameter (internal coordinate). This is accomplished by generalizing the fixed-pivot (GFP) technique of Kumar and Ramkrishna (Chem. Eng. Sci. 51 (1996a) 1311) handling any two integral properties of the population number density for continuous flow systems by treating the inlet feed distribution as a source term. Moreover, the GFD technique has the advantage of being free of repeated or double integral evaluation resulting from the weighted residual approaches such as the Galerkin's method. This allows the time-dependent breakage and coalescence functions to be easily handled without appreciable increase in the computational time. The resulting system of PDEs is spatially discretized in conservative form using a simplified first order upwind scheme as well as first- and second-order non-oscillatory central differencing schemes. This spatial discretization avoids the characteristic decomposition of the convective flux based on the approximate Riemann solvers and the operator splitting technique required by classical upwind schemes. The time variable is discretized using an implicit strongly stable approach that is formulated by careful lagging of the non-linear parts of the convective and source terms. The algorithm is tested against analytical solutions of the simplified population balance equation for a differential liquid-liquid extraction column through four case studies. In all these case studies the discrete models converge successfully to the available analytical solutions and to solutions on relatively fine grids when the analytical solution is not available. Realization of the algorithm is accomplished by comparing its predictions to experimental steady-state hydrodynamic data of a laboratory scale rotating disc contactor of diameter. Practically, the combined algorithm is found fast enough for the computation of the transient and steady-state hydrodynamic behavior of the continuously and spatially distributed interacting liquid-liquid dispersions.     

Solution of the droplet breakage equation for interacting liquid-liquid dispersions: a conservative discretization approach

A conservative discretization approach for the population balance equation (PBE) with only droplet breakage describing the hydrodynamics of a continuously interacting liquid-liquid dispersion is presented. The approach is conservative in the sense that it conserves any two integral properties associated with the number droplet distribution and thus it is considered internally consistent. The discrete set of equations is laid down through applying the subdomain method where it is shown that this set of discrete equations is only internally consistent with respect to one integral property. The internal consistency is enforced by introducing a set of two auxiliary functions that are uniquely determined by matching the integral properties obtainable from the discrete set against those from the continuous PBE. However, it is shown that this conservation of integral properties is not exact for all the subdomains and hence it results in what we call the intrinsic discretization error (IDE). This IDE is not only associated with this approach, but also it is found inherently existing in the fixed-pivot (FP) technique of Kumar and Ramkrishna (Chem. Eng. Sci. 51 (1996a) 1333). The derived equations of the IDE for the present discretization approach and the FP technique generalized to continuous flow systems show that the present approach enjoys a small value of the IDE. To validate the discretization approach, two analytical solutions for the continuous PBE are presented, where good agreement is found between the predicted and the analytical solutions. To assess the reliability of the present discretization approach two experimentally validated breakage frequency functions describing droplet breakage in a turbulent continuous phase as well as two daughter droplet distributions are considered. The convergence characteristics show that the present discretization approach has an identical convergence rate as that of the FP technique, and in some cases it is superior to it. This rate of convergence is found approximately proportional to the square of the inverse of the number of subdomains.     

Modeling of droplet-droplet interaction phenomena in gas-liquid systems for natural gas processing

The design of efficient gas liquid separation units for natural gas production lines depends on the accurate estimation of the droplet size distribution. The droplet size can be estimated by considering breakage and coalescence phenomena. In particular, off-shore separation units working at high pressure (100-200 bar) require special consideration of coalescence processes with multiple outcomes. This work discusses the introduction of multiple outcomes in the coalescence process. Numerical experiments are presented in order to highlight the effect of multiple coalescence behavior in the evolution of the droplet size distribution.     

液-液混合澄清萃取器的研究动态与发展方向

介绍了传统萃取设备的主要特点和各种型式。综述了新型结构的塔式混合澄清萃取器的研究与应用状况 ,提出了塔式混合澄清萃取器的不足及发展方向     

几种芳烃抽提工艺的比较

介绍了目前国内几种主要的已经工业化的芳烃抽提工艺,并且从溶剂性质和产品质量等方面进行了比较。并且根据生产要求的不同,推荐了不同芳烃抽提的工艺。其中Sulfolane工艺为国内大多数装置所采用的工艺。     

UTILIZATION OF POPULATION BALANCES IN SIMULATION OF LIQUID-LIQUID SYSTEMS IN MIXED TANKS

A simulation model has been developed to model drop populations in a mixed tank. A multiblock mixed tank model has been used with the drop population balance equations developed in the literature. The drop breakage and coalescence functions used in the population balance model take into account the local turbulent energy dissipation values. The drop breakage and coalescence function parameters are fitted against drop size measurements from dense liquid-liquid dispersions, which were assumed fully turbulent. Since the local turbulence and flow values of a mixed tank are used in the present model, the fundamental breakage and coalescence phenomena can be taken into closer examination. Furthermore, the present model is capable of predicting inhomogeneities occurring in a mixed tank. It is also considered as an improved tool for process scale-up, compared to the simple vessel-averaged population balance approach, or use of correlations of dimensionless numbers only. The present model can use two sources of data for fitting parameters in the drop rate functions. One is the transient data of the measured drop size distribution as the impeller speed is changed. The other is the time-averaged data measured at different locations of the mixed tank. Different flow regions can be chosen from direct measurements or from the CFD simulations in a straightforward manner. CFD flow simulation results can be used when no experimentally obtained flow conditions are available. This is especially useful for nonstandard vessels, such as reactors containing cooling coils.     

Population balance modelling and H∞—controller design for a crystallization process

In this paper we consider the robustly stabilizing control of a 1000l draft tube baffled crystallizer. When operated at high fines dissolution rates, the crystallizer exhibits sustained oscillations. A detailed population balance model for the process can be found in the literature. Based on this detailed model we develop a simpler population balance model. This, in turn, permits the derivation of an irrational transfer function from manipulated to measured variable. An H_∞ mixed sensitivity minimization problem is formulated and solved using an infinite-dimensional version of H_∞ theory. Two different controllers are designed and compared in simulation studies.