Chemical Simulation Software

Chemical simulation software is a tool that is required or recommended for understanding the interaction and chemical affinity between molecules. If we want to know the capability of materials to connect and generate some reaction, or about the thermodynamic connection between materials, chemical simulation software gives us an idea about how to progress.

The point is, in the chemical industry, we are using new molecules that we don’t know a lot about. For this reason, certain kinds of activities are required to invest a large force in the laboratory and conduct experiments on reaction rates, reactivity, reluctivity, yield, and the best conditions needed to generate a good situation while using raw materials that are as cheap as possible.

So, for this, chemical simulation software is very important. But, having such software at our disposal is not enough, because it’s often used only in regards to chemical affinity. If we’re exploring thermodynamics, reaction rates, and the activity between reaction functions in the functionality in the molecule, more knowledge is required. But when we continue and want to implement practical strategies in the industry, showing that the capabilities produced in the lab are good enough, we need to use other tools that cater to understanding the physics involved in generating the molecular interactions and results we’re looking for.

So, knowing all about the reaction rates or mass transfer or solubility between the materials, etc., is not enough to know how the process will progress. We need to provide good results. For this, we need to know what conditions we are providing our materials to get them to interact with each other; every interaction will be different. For this, we need to think about the integration and interaction between the fields.

So, we know about the chemistry, the mechanics, the physics, and the interaction between materials. And we need to combine this knowledge in order to generate the whole idea. This whole idea will happen normally in the stage during which we discover what the main pathway of the process is: the raw materials, the software used, and the next steps for generating a significant quantity of material (in grams or kilograms). Once we talk about this, we need to consider the conditions we are providing the material, coming from the standpoint of physics, flow mechanics, and the mixing field. To do this, we have field software such as VisiMix, providing for you all the capabilities needed to understand the interactions between materials in more than one phase. Realistic reaction rates are not only pure reaction rates but also take into consideration homogeneity; all of these elements are influenced by the physics and are helpful for producing more realistic and practical results.

So, chemical simulation software is related more to thermodynamics, to molecules energies, and second level is the physics that we punt into the molecules to generate good results. Of course, when we are working on the interaction between the fields, all of these aspects will accelerate the knowledge of the process, that is, the R&D. But the R&D should be in a high level, meaning that we are not only thinking about the molecule but also about the environment that influencing the interaction between the materials. These whole activities are normally integrated by process chemists and chemical engineers, who can then generate the information required.