Simul is a series of simulation software for electrophoresis which has been continuously developing.
It simulates the movement of ions in liquid solutions in an electric field. It solves numerically a set of nonlinear partial differential equations and nonlinear algebraic equations describing the continuity of ionic movement and acid-base equilibria.
Simul 6.1 is a continuation of the previous version 5. It has been designed using the latest programming tools. Its code was rewritten using Qt platform with fully standard-conformant C++ and utilizes the MSVC compiler. The computation engine was completely redesigned in order to take full advantage of parallelization and multithreading computation. It is 5 – 15 times faster than Simul 5.
- to simulate experimental runs and optimize separation conditions (buffers, injection),
- to inspect or explain unusual phenomena observed in experiments: system peaks (zones), overshoots, peak distortion,
- to inspect stacking and preconcentrating analytes, electromigration dispersion,
- to show beginners how electrophoresis works.
- A mathematical model of electromigration which accounts for any number of multivalent electrolytes or ampholytes, even in the hundreds.
- Simul 6.1 includes a database of electrophoretic mobilities and pKa constants based on Takeshi Hirokawa's tables with the data of many ions.
Linux:
qmake
make -j
macOS:
The Apple-provided Clang compiler does not support OpenMP, so you must install a new version of LLVM (includes the Clang compiler) and the OpenMP libraries. If you use Homebrew, this can be done by running the command:
brew install llvm libomp
The project can then be compiled with Qt after changing the configuration to use the Clang compiler included in the downloaded LLVM package.
Windows and MacOS binaries and documentation can be downloaded from here: https://www.simul6.app