MFiXNational Energy Technology Laboratory
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Related Products
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About
GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.
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About
MFiX, or Multiphase Flow with Interphase eXchanges, is an open source multiphase flow solver and NETL’s flagship suite of computational fluid dynamics tool for modeling reacting multiphase flows. It has become a standard for comparing, implementing, and evaluating multiphase flow constitutive models, and has been applied to a diverse range of multiphase flow devices and industrial systems. MFiX provides multiple modeling approaches, including a Two-Fluid Model, Discrete Element Model, Coarse-Grained Particle DEM, Superquadric Particle DEM, Glued-Sphere Particle DEM, Particle-in-Cell model, hybrid methods, and a single-phase solver for pure granular flows. These models can be used to simulate gasifiers, circulating fluidized bed combustors, fluidized beds, fluid catalytic crackers, chemical looping combustion systems, and other particle-fluid systems involving hydrodynamics, heat transfer, species transport, and chemical reactions.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Computational chemists, biophysicists, materials scientists, and molecular simulation researchers who need a tool to model biomolecules and particle systems
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Audience
Multiphase-flow researchers, engineers, and teams requiring to model gas-solids systems, particle-fluid interactions, and reacting multiphase flows
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and Videos |
Screenshots and Videos |
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Pricing
Free
Free Version
Free Trial
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Pricing
Free
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationGROMACS
United States
www.gromacs.org
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Company InformationNational Energy Technology Laboratory
United States
mfix.netl.doe.gov/products/mfix/
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Categories |
Categories |
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Integrations
Python
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