Process synthesis software

Lott, D. H-, Simulation Software as an Aid to Process Synthesis, IChemE Symposium Series No. 109, IChemE, 1988. 

The principle of integral process development [26] covers much more than just the optimization of a process. This approach begins with computer-aided decision procedures in the conception phase. Tools are available in which the process structure is suggested, for example should the process be a batch or a continuous operation The software tool for process synthesis PROSYN uses databases which include knowledge of experts, material data and calculation models for unit operations. Interfaces to process simulation tools such as ASPENPLUS and material databases are also supplied. PROSYN also delivers an economic evaluation of the future production process. 

Process synthesis by superstructure optimization consists of the identification of the best flowsheet from a superstructure that considers many possible alternatives, including the optimal one. A substantial advantage is that integration and design features may be considered simultaneously. At today s level of software technology the superstructure optimization is still an emerging technique. However, notable success has been achieved in numerous applications. The reference in this field is the book of Biegler et al. [6]. 

Advances in problem formulation and in computational hardware and software capability offer the promise of a new generation of practical process synthesis techniques based directly on structural optimization. Soon the goal of synthesizing provably unbeatable conceptual process flowsheets may be at hand. 

Outline an overall process flow sheet and material balance including solvent recovery and recycle. This should be done with the aid of process simulation software. [See Seider, Seader, and Lewin, Product and Process Design Principles Synthesis, Analysis, and Evaluation, 2d ed. (Wiley, 2004) and Turton et ah. Analysis, Synthesis, and Design of Chemical Processes, 2d ed. (Prentice-Hall, 2002)]. In the flow sheet include methods needed for controlling emissions and managing wastes. Carefully consider the possibility that impurities may accumulate in the recycled solvent, and devise methods for purging these impurities, if needed. 

Process simulation is now a powerful tool for process design. As process syntbeeis methodology matures, it is reasonable to expect process simulation to be a powerful subeet of process synthesis. Before that becomes a reality, bowever, notch must be dons to currently available process simulation packages. More separation operations must be incorporated into the simulation packages with their associated cost calculations. Tbe most serious deficiency in the simulation software, however, is the absence of short-cut computations of sufficient accuracy to lead to valid conclusions. 

This first Brite-Euram Project had a duration of 3 years and a budget of about 3.8 million dollars. The task of the Universities was to develop methods and software the task of the industrial partners was to run the experiments. The key subject areas for this project were process synthesis, process design, and experiments using industrially relevant reaction systems and catalyst systems. In the areas of process synthesis and design, computational tools were developed in accordance with the CAPE programming guidelines. 

From the remarks above, it can be concluded that a sophisticated software tool for process synthesis and design should have direct access to all worldwide available pure component and mixture data. At the same time, it should use recommended basic data Tc, Pc, v, w, T , Ti, etc,) and reliable temperature (pressure)-dependent parameters to describe the pure component properties at the given temperature (pressure). Additionally, for the most important mixtures, recommended model parameters for -models, equations of state, and electrolyte models should be provided. Furthermore, a software package should be available which allows the prediction of the required pure component properties and phase equilibria. 

Figure 9.4 Parameters of a process synthesis problem in software PNS Studio.

The mass- and energy-based indicators help to identify process alternatives for which sustainability metrics, environmental impact factors, as well as inherent safety indices can be estimated. The goal here is to optimize the process so that there is improvement in all these metrics with respect to the base case design. The application of the methodology requires a combination of tools ranging from databases to process simulation software (such as Aspen , Hypro , Sim Sci , etc.), to computational routines for various types of indicators and process synthesis/design tools. 

Reaction models are necessary in the chemical process industries for a number of purposes which are most often related to the modeling, simulation and control of production processes process synthesis, process simulation, plant optimization and production control are typically some of the domains concerned with the use of reaction models within unit operation models. To provide interoperability of reaction models within a number of software applications, a specific part of the CAPE-OPEN standard has been devoted to these simulation components called Reactions Packages. CAPE-OPEN Reactions Packages are described in terms of the interfaces that they must support, their interaction with a process modelling environment and the functionality they are expected to support. The interfaces defined support both kinetic and electrolyte reactions. 

---