Modeling
Aveva Solutions CPFD Software 16_CHE_060110_CUS.indd 51 5/26/10 2:45:57 PMFocus
52 ChemiCal engineering www.Che.Com June 2010
ics (CFD), finite element methods (FEM) and fluid structure interac- tion (FSI). CFD is used to determine how spray performance is affected by gas and liquid flows, gas veloc- ity, temperature, pressure and other operating conditions. Models can determine factors such as evapora- tion time, spray trajectory, drop size distribution in the gas flow and wall wetting. FEM is used to analyze ma- terial suitability for spray injectors, while FSI evaluates the interaction between solid structures and flowing fluid at given conditions. — Spray- ing Systems Co., Wheaton, Ill. www.spray.com
Use this simulation platform for chemicals research
The latest version of Materials Stu- dio modeling and simulation plat- form is said to cut time to solutions in materials and chemical research. Designed for a wide range of applica- tions, including catalysis, polymers and drug development, the updated software features improved parallel codes at every simulation scale, in- cluding quantum, atomistic and me- soscale. The company has also added an integrated set of tools for polymer and soft-matter research as well as a wider range of analytical instrument simulations, including Raman spectra simulations. — Accelrys Software Inc., San Diego, Calif.
www.accelrys.com
An improved user interface is a highlight of this software version
Version 2 of this company’s object- oriented simulation software features an improved user interface, including a more intuitive scheme for finding and navigating between model com- ponents. The new version also has additional tools for debugging and validation of models, and a network li- censing capability to allow the system to be used on multiple desktops and across multiple geographic locations. Other added features for Version 2 are an enhanced help function, on- line videos and an easier way to view full-screen animation. — Simio LLC, Sewickley, Pa.
www.simio.biz
New algorithms offered for multicore processors
This not-for-profit numerical software development organi- zation offers a library of nu- merical algorithms for chemi- cal research that are optimized for performance on multicore computing architectures. The downloadable NAG Library for Symmetric Multiprocessors (SMP) and Multicore (photo) is designed to help industrial and academic chemical researchers make the best use of the processing power available through the shared- memory parallelism of multicore com- puter systems. The mathematical and statistical algorithms are key tools in modeling, chemometrics and other chemical engineering research, espe- cially at the nanoscale, the organiza- tion says. — Numerical Algorithms Group, Oxford, U.K.
www.nag.com
New tools included in this flowsheet simulator
HSC Chemistry 7.0 is process flow- sheet simulation software that has four distinct modes — particles, reac- tion, distribution and experimental. The latest version of the software has added drawing features, new spread- sheet features and routines for mass balancing and data reconciliation. The new distribution mode allows the software’s use for high-temper- ature process models. HSC Chemis- try 7.0 contains an enhanced ther- modynamic database that includes data on over 25,000 different chemi- cal species. — Outotec Research Oy, Pori, Finland
www.outotec.com/hsc
This Web-based design tool can reduce project development costs
A newly launched front-end design tool from this company allows for rapid de- velopment and evaluation of capital project options in the process indus- tries. The software tool integrates flowsheet development, 3-D layout, factored cost estimation and design deliverables generation. Its simple and powerful interface increases engi- neers’ productivity, the company says, asserting that both operating and en-
gineering companies can realize a 50% reduction in project development costs using the software system. Among the features of the software are automatic consistency checks of design param- eters across multiple documents, in- stant updates after design changes, and continuously updated cost esti- mates based on an industry-accepted price database. — ConcepSys Solu- tions LLC, Houston, Tex.
www.concepsyssolutions.com Expanded design services offered by this firm
This company recently introduced an expanded services department to complement its software products. Supporting the petroleum and gas, power, pulp and paper, chemical and aerospace industries, the service de- partment offers plant design and analysis, piping design, data transla- tion, as well as software development and customization, including 2D to 3D drawing conversion. — SST Systems Inc., San Jose, Calif.
www.sstusa.com
Use this software package for technical plotting
PSI-Plot Version 9.5 for Windows is de- signed for technical plotting and data processing in science and engineering fields. Version 9.5 builds on previous editions, but adds features, includ- ing built-in mathematical functions, matrix decomposition and maximum likelihood estimation for generalized linear models. In addition, the soft- ware package has added over 100 new predefined fitting models. — Poly Soft- ware International, Pearl River, N.Y. www.polysoftware.com ■ Scott Jenkins Time , s Number of cores 20,000 25,000 15,000 10,000 5,000 0 2 4 8
Nearest Correlation Matrix Performance Study
Fortran library Mark 22
NAG library for SMP and multicore Mark 22
Figure shows the speed increases of using the NAG library for SMP and multicore – NAG rou- tine used “Nearest Correlation Matrix” problem size of N = 10,000
Numerical Algorithms
Group