An Ultimate Guide to Batch Reactor
Reduce production costs, meet environmental requirements, control risks, save time in the scale-up phases and bring new products to market. Batch Reactor permits chemists and process engineers to rely on a tool dedicated to responding effectively to such challenges.
Batch Reactor provides a complete list of functionalities allowing the simulation of almost all batch reactors in chemistry, bio-industries, pharmaceuticals, etc.
Batch Reactor performs calculations of material energy and balances between phases based on robust and efficient numerical methods in a flexible environment that enables the reactor to be configured in detail (with the heating or cooling and condensation system as necessary). It makes it possible to obtain the evolution over time of the different operating variables of the installation, including temperature, concentrations, the heat of reaction, condensed quantity, quantity a, and quantity an.
Batch Reactor is a program that is notably beneficial for:
Analyze the viability of performing a novel synthesis in an already operational reactor.
Research deteriorated situations such as the failure of the cooling system, creating a reactor control strategy.
Build a reactor control plan.
Replicate on a pilot, then use benchtop results for industrial-scale experiments.
Operators of trains account for emissions (VOC, etc.)
Shorten cycle times, produce off-spec items, and archive a synthesis model to preserve the information gained.
1. Very accurate reactor and related equipment modeling.
The "technology" of the equipment, such as the reactor, heat exchangers, condenser, etc., can be considered in depth according to desired goals.
It is feasible to modify the model by carefully estimating the amount of heat delivered to the reactor over time while maintaining a constant "cooling" (or "heating"). Several thermal devices may be used for this.
Equipment can be customized for each element or selected from the standard libraries:
- Vessel bottoms: Hemispherical and flat.
- Reactors used in industry or laboratories.
- Agitators: Impellers and turbines.
- Coils for submerged exchangers.
- Wall exchangers: Double jackets and half-shells.
- Circulating external exchangers.
- Steel that has been vitrified for walls.
- Heating through induction.
The condenser's shape may be configured, one or two stages of condensation can be represented, the reflux rate can be chosen, and a pressure control system can be considered. The condensation system is thoroughly detailed.
- It is feasible to handle these components and keep the company's standard equipment in storage thanks to a unique tool (KPIS Pvt. Ltd.).
- If the reactor has a condenser, condensation can be forced (partial, entire, or sub-cooled), and the amount that condenses over time can be precisely calculated. Batch Reactor automatically determines the exchange coefficients for tube/shell type condensers.
- The refluxed phase can also be carefully modeled for a potential settling tank (constant or changing level). PID and other unit control and regulation systems.
2. A strong kinetics identifier and a variety of reaction models.
Reactions can be defined as instantaneous, balanced, reversible, or irreversible.
They provide Batch Reactor with all its power when combined with reaction kinetics analysis (Arrhenius, Langmuir Hinshelwood, etc.).
KPIS Pvt. Ltd. makes it possible to extract the kinetic law parameters and reaction heats required for modeling using experimental data collected in the lab, such as concentration as a function of time and calorimetric measurements, if they are not already accessible (exchanged heat obtained on laboratory reactors).
Pre-exponential variables, activation energies, and reaction orders are automatically recognized depending on the tests provided. These parameters are collected with confidence intervals to evaluate the model's applicability.
3. A powerful and versatile thermodynamic package.
Numerous layers of modeling may be done for the physicochemical characteristics. Global characteristics could be enough in the case of a liquid single-phase reactor. Batch Reactor uses the entire computing capacity of the ProSim Physico-chemical properties and phase-equilibrium calculation server to automatically compute the Physico-chemical properties of the reaction medium over time for multiphase systems or a more satisfactory analysis:
- The DIPPR® database of the AIChE contains a database of attributes for almost 2,300 pure compounds.
- A wide variety of thermodynamic models for estimating mixture parameters and phase equilibria.
- A group of services, including private databases, property appraisal, etc.
4. Try other paths and new production techniques.
In the industrial unit, the "recipe" for production is defined by a list of operational processes. Thus, it is feasible to describe full situations.
Different modes of operation can be established for each stage:
- Isothermal (with forced temperature or profile), the thermal device included or not.
- Adiabatic, with a predetermined amount of heat.
- With an amount of heat determined based on the thermal device's characteristics.
Each of the operational parameters can be changed at each stage:
- The withdrawals or the feeds (open, closed, flow rates, etc.)
- The thermal fluid's temperature and flow rate.
- The agitation system's specifications.
- The condensation device, halting or commissioning a decanter, the reflux policy, etc.
5. A user-friendly interface, quick computations, and findings that are easily exploited.
It is pretty simple to define the many characteristics of all the models, even the most complicated ones, thanks to the user-friendly visual interface. Batch Reactor is very effective under challenging scenarios because of its reliable and effective numerical algorithms. It is possible to receive the development through time of all the operational variables of the installation, including concentration, temperature, the heat of reaction, quantity, and production quality, thanks to the software's calculations for the material-energy balance and phase equilibrium provided by difrex.
6. Application instances.
Process safety is increased by modeling various situations, especially for highly exothermic processes.
7. Dynamic modeling of a reactor's thermal runaway.
Analysis of the environmental effects of various manufacturing configurations, with a focus on estimating VOC emissions.
Optimization of operating conditions and feasibility studies, such as those examining the effects of a process alteration on a reactor, can reduce operational expenses.
Pre-simulation of new equipment lowers investment risk.
A batch reactor's study for drying sodium acetate.
