Mathematica Solution for Chemical Engineering

Simulate your chemical processes with ready-to-deploy, fully interactive models using a combination of powerful computation, statistics and optimization, instant interactivity, and built-in chemical data. One system, one integrated workflow.

Underlying the Mathematica chemical engineering solution is the world's most sophisticated differential equation solving with automatic algorithm selection, self-checking precision control, and symbolic preprocessing–everything to get accurate results efficiently.

Ready-to-use, built-in curated data on thousands of chemical compounds

A 3D, space-filling molecular plot of caffeine using built-in chemical data

Key Capabilities

Why Choose Mathematica

Ways to Use

Mathematica includes thousands of built-in functions for computation, modeling, visualization, development, and deployment »
Chemical engineering-specific capabilities inlcude:
Built-in access to Wolfram|Alpha's extensive data on molecular, physical, and thermodynamic properties of thousands of chemical compounds »
Automatic algorithm selection by built-in superfunctions such as NDSolve ensure accurate results to complex numerical problems in fluid mechanics, heat transfer, separation processes, and more
Instantly create interactive applications and vary parameters in real time to study multi-parameter problems in transport phenomena, reaction engineering, kinetics, and more »
Powerful statistical computation, analysis, and optimization routines for experimental data analysis, reaction engineering applications, and more »
Easy import and export of process engineering and other data in a wide variety of formats »
Accurately solving of highly nonlinear problems in transport phenomena and other areas with built-in arbitrary precision numerics and automatic precision control »

Built-in chemical data immediately suitable for computation
Chemical Data »
Detailed physical, chemical, and molecular properties of more than 34,000 compounds
Free-form linguistic input produces immediate results without the need for syntax »
Instant connectivity to databases, web services, C/C++, Java and .NET frameworks allows easy access of specialized data and code from a variety of sources »
Load and access dynamic libraries and use built-in support for GPU computation with CUDA or OpenCL for high-speed, memory-efficient execution
Sophisticated typesetting for chemical and mathematical equations; standard word processing and interactive applications in a single document »
Automatic generation of reports with interactive graphics, code, and text immediately shared with other chemical engineers or colleagues using Wolfram CDF Player »
Integrated environment for chemical engineering model building, statistical analysis, optimization, and generation of interactive reports and applications
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Why Choose Mathematica

Key Capabilities

Why Choose Mathematica

Ways to Use

Compare Mathematica to your current tools. Do they have these advantages?
Instantly create dynamic interfaces that allow you to vary parameters and gain useful insights from data, a feature especially useful for reactions engineering/kinetics, process design, and transport phenomena »
Competitor note: Instant creation of interactive interfaces is not possible in other software
Built-in, powerful statistical analysis and optimization routines for analyzing large amounts of data from experiments »
Competitor note: Matlab requires extra-cost toolbox to perform statistical analysis
Sophisticated typesetting for chemical and mathematical equations, standard word processing, and interactive applications in a single document »
Competitor note: Not available in other software
Integrated automatic report generation to document tasks you perform in Mathematica and instantly generate reports with graphics, text, and code »
Competitor note: Matlab requires purchase of extra toolbox; Sage, Octave, and other freeware do not support automatic report generation
Automated precision control and arbitrary precision numerics produce highly accurate results »
Competitor note: Fortran, Excel, Matlab, and other systems relying on finite precision numerics can create serious errors due to lack of precision

Advanced string and pattern matching and sequence alignment capabilities for biochemical applications »
Competitor note: Matlab requires purchase of toolbox
Built-in parallel computing capabilities for solving computation- or data-intensive problems on multicore computers »
Competitor note: Matlab requires purchase of extra toolbox for parallel computing; all major software systems require extensive programming to parallelize processes
Seamless integration of numerics, symbolics, interactive graphics, and all other computational aspects in one document
Competitor note: Not possible in other software
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Ways to Use

Key Capabilities

Why Choose Mathematica

Ways to Use

Solving coupled nonlinear differential equations for chemical kinetic modeling and applications in transport phenomena
Designing and optimizing unit operations such as distillation and adsorption processes in a chemical plant
Developing thermodynamic models to predict vapor-liquid equilibria of non-ideal mixtures
Computing Laplace transformations for process control applications
Numerical solution of transport equations, advanced heat and mass transfer problems, and other transport phenomena applications

Performing economic viability analysis for chemical plant design using built-in economic, financial, geographic, and demographic data
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Key Capabilities