Chemical Mixing FAQ

What software is used to simulate chemical reactions?

Yes, we have a new release, a new innovation in the market. We are showing the capability of connecting chemical reactions and mixing by a new software: the name is VisiMix-Chem. This software is an innovation in the market, and really an innovation in all the simulation fields in the chemical industry, because we succeeded in understanding how to connect the mixing phenomena and the reaction phenomena, when we have chemicals entering a sterile vessel and reacting with each other. The main point is that VisiMix-Chem is a unique software that is able to take into consideration the phenomenon of macromixing—the time required to generate homogeneity in the tank in levels that are macro scales, for all the average quantity of the material in the tank. When we have reactants, these materials will react according to their vicinity—and to understand that, we have some limitations, physical limitations and calculation limitations. Physical limitation on the smaller level means that in physics, in flow dynamics, it is impossible to generate fluid elements that will be smaller than the Kolmogorov size. The Kolmogorov size is the fluid element size stemming from the connection between the density and viscosity, and the energy of dissipation of the flow into the tank. It’s generated by the agitator used in the tank and the physical properties of the materials and geometry of the tank.

So, we have some lower levels, and if the molecules are within this very small fluid element—that is, within the order magnitude of micrometers, of molecular size—the fluid element with the mechanism will react through molecular diffusivity.

So, within this size, the capability to interact between the materials is molecular diffusivity; once the materials are connected, the molecules will interact and generate the reaction. When we have exceeded a fluid element size within the magnitude order of microns, we have to consider all the mechanisms, such as the conduction mechanism and mass transfer conduction mechanism. When we take these into consideration, we can hypothesize that the homogeneity is giving any molecule the capability to interact with one another. This background that I have explained about the connection between hydrodynamics, fixed, and the reaction rate, is integrated into the new product VisiMix-Chem. This product generates numbers and results that give us the capability to explain simple phenomena that we were unable to explain before.

For instance, why does our process take a longer time in big equipment than in small equipment when the operation is a batch operation? The answer was not so clear. In our experience, we know that the reaction is slow, but with no numbers. Now, with VisiMix-Chem, we are able to answer the question using real numbers. And because our answer is in the same language that every chemist, biologist, or other scientific professional from the pure R&D uses to think, the connection between our activities and their activities will be closer. As a consequence of this integration, all the activities in the company will be smoother and generate better results.

So, all of this funnels down to a question: What software is used to simulate chemical reactions? If you want to know the realistic answer, here it is: The only unique software that is simulating chemical reactions is VisiMix-Chem. It’s our new release, and we are happy to promote it. Not only are we proud of it, but we are happy to promote it to our customers, who really will enjoy the results.

Which software is used for process simulation?

Process simulation is a general definition because it can comprise, inside there, a mass and energy balance in all the factory. A typical process, for instance, includes a chemical or biological reaction, fermentation, purification of material by distillation, filtration, crystallization, phase separation, emulsification, solid handling, milling and screening. After that, if we go to the formulation industry, the formulation includes adding many different components into a mixer that we need to read to achieve some level of homogeneity. After that, we pass the formulation through some pressing machine to generate a pill, or through high shear rate equipment in order to generate creams or ointments or syrup. So, this complete activity has many stages, and for every stage we can generate a process simulation that consists of mass and energy balance. In this way, we will be able to know the complete input we need to provide the factory to manufacture the process. What will be the minimum cost, what is the energy required, and what is the cost for this energy to manufacture our materials? Consequently, what will be the company’s profit in the manufacturing of the specific product in the next step? It is a general process simulation.

But when we are talking about a specific process simulation, I mean that we want to have a simulation that describes to us how the distillation will be, or how the drying for the [Inaudible] in the tank will be, or how the crystallization will be. For every one of these activities, we need some specific model that describes the process by itself. It is very well known, for instance, how distillations are simulated. We have materials that are in one single phase, or maybe two phases, but if we want to distill by boiling point and different pressure, we can differentiate and separate between materials. Every material can be identified by the pressure and the boiling point, by the gas pressure.

And for these, we need complete equipment that normally is characterized by plates. Every plate separates the material in some way until we have the impurity that we want to generate; for this, we define the number of plates that we need to provide.

VisiMix is a software that is found inside; it is a process software, and inside, the module is about distillation. Once applied, we have some starting point for what will be the performance of our equipment at every step—but at every step, the main process simulation software that is taking into consideration the dynamic flow dynamics is ideal. And it is because of this point that VisiMix can be relevant for everyone.

For mixing in the tank, VisiMix shows us what might be the deviations of any process simulation if we include into the process simulation more than the mixing phenomena. VisiMix is useful for everyone. When the simulation happens in a sterile vessel, VisiMix generates a good result with another column that is only the material and the babbling that we’re doing through some parts. So, the software used for process simulation really depends on what we’re looking for: only the basic one or the complete, realistic situation. If we’re looking for the realistic situation, we need to include the influence of flow dynamics. VisiMix does this for a sterile vessel.

What are the process modelling tools for chemicals in engineering?

For all the chemical engineering degrees, the first degree is based on models that explain what the basics of phenomena transport are—for instance, when we transfer momentum, mass, and energy, and implement all of these to design reactors. We perform experiments in the lab to connect the theories of reactions and reactor designs, as well as understand the experiment that will characterize the equipment we use for filtration, emulsification, distillation, drying for solid handling, cream and ointment formulation, granulation, and bill manufacturing with pressing machines. All of these are activities that we normally have theories about. We explain in mathematical terms the main phenomena transfer that happen for every process, and to grasp this knowledge, we have courses in academia. So, process modeling tools comprise all the studies we’re doing in the first degree.

There are many kinds of calculations in papers, and there are types of software that perform the calculations, but again, all of them consider all fluid or some correlations based on experimental data that authors generate for the specific unit operation. For instance, we can find a correlation about crystallization, the inflation rate, and the growing rate, but continue to focus on the particle size in the crystallization. But if we want to include what will happen if we feed these materials with these models into the sterile vessel equipment, we need to take into consideration the mixing influence into time. But this is basic for all, because inside the flow the process is progressing. Regardless of whatever process you think of—reaction, crystallization, fermentation, distillation, evaporation, whatever you’re using—there is some environment. In our case, it is fluid mechanics. So, for this, we need to understand more that mechanics are the main change we use when transferring our process from one site to another site, because the molecules, process, and goal will be the same.

Which technologies allow for the creation of virtual simulation of chemical processes?

The answer is as I’ve explained before: All that we study in chemical engineering models, in different fields, we need to integrate. The only way to integrate is to understand what environment we’re using to generate these processes. The environment normally used in the chemical industry is mainly the liquid phase. By solving the flow mechanics, VisiMix is doing well.