Digital Briefs | June 9, 2008 Issue - Vol. 86 Issue 23 | Chemical & Engineering News
Volume 86 Issue 23 | p. 45
Issue Date: June 9, 2008

Digital Briefs

New Software and Websites for the Chemical Enterprise
Department: Science & Technology

Software

EDEM is a software program used for modeling the behavior of particles. The software enables a wide range of particulate processes to be simulated, more than 1 million particles can be simulated on any desktop computer, and is customizable for user applications. CAD models of real particles can be imported to obtain an accurate representation of their shape. Library storage allows the user to build a collection specific to commonly used processes. The software provides a range of mechanical contact models in the form of user-defined libraries (UDLs), including Hertz-Mindlin, linear spring, cohesion, bonded particle, and moving surface. UDLs are coded in C, C++, or F90 and are compiled as a dynamic library that is automatically linked at simulation run time. The software has postprocessing tools for graphing and visualization; data export to ASCII and other formats; particle initialization for batch or continuous flow; specification of physical, mechanical, and other particle properties; structure visualization in 3-D with pan and zoom features; and built-in video generation from rendered images at each step in time. Detection of contact between discrete objects, key to the discrete-element solver function, is another handy program feature. The software runs on single-processor and shared-memory multicore platforms in both Windows and Linux environments. DEM Solutions, www.dem-solutions.com

Vida and Vivant are two software programs that when coupled bring molecular modeling to an interactive level. Vida creates enhanced visual content in 3-D views and Vivant publishes this content in a variety of media, including PowerPoint, Word, and Web pages. Modeling within Vida includes capabilities such as organizing bookmarked scenes of choice in large-scale visualization. File generation captures the view and any attached information for distribution (including annotations). Vida also includes preset, customizable views for docking and ligand-based similarity searches. Vivant's compatibility with Internet connections include ActiveX (enabling JavaScript) for Internet Explorer and LiveConnect for Firefox. Vida is supported on Linux, Windows, and Mac OS X, whereas Vivant is supported on Windows only. OpenEye, eyesopen.com

Database

DIPPR 801 is an ongoing database project that is 30 years in the making and aims to satisfy industry needs for accurate and complete thermodynamic and physical property data for process engineering. Paying a fee, based on a sliding scale depending on company type and revenue, allows any company to gain access to a sponsor version of the database that contains a wealth of information not available in the public version. Sponsor access includes data on more than 100 additional compounds and unlimited access to DIADEM, an in-house software tool for data entry and comparison. In addition, sponsors gain a seat on the project steering committee and access to more than 20 physical property data experts. The database includes experimental data, estimated values, temperature-dependent correlation coefficients and equation parameter regression, and property prediction with over 200 well-established methods. The public version of the database contains 1,944 industrially important compounds, compared with 2,069 for the sponsor version. Both versions contain values for 49 thermophysical properties (34 fixed-value and 15 temperature-dependent properties). Defined and directed by sponsors, the database is constantly expanding to meet the needs of the users. DIPPR 801 is accessible from any Internet-ready computer or device. BYU-TPL, dippr.byu.edu

 

Video game teaches students about immunology

Immune Attack is a recently released video game produced by the Federation of American Scientists. Intended to teach the critical scientific facts of immunology, the game is an engaging interactive tool for students. Born from research of interactive learning as a complement to the classroom, the game's visual elements and simulations are critical for grasping the complex interactions of the human body's systems. Players navigate a nanobot through a 3-D environment of blood vessels and connective tissue in an attempt to save an ailing patient. Along the way, students learn about the processes that enable macrophages and neutrophils, white blood cells, to detect and fight infections. A database of immunology facts is also included. Created for high school students through a collaboration of game developers, instructional designers, immunologists, teachers, an entertainment firm, and various university-level scientists, the game runs on Windows (XP, Vista, and above) and on Intel-based Macs running Windows XP. Federation of American Scientists, fas.org/immuneattack

 

Noah U. Shussett writes Digital Briefs. Information about new or revised electronic products can be sent to d-briefs@acs.org.

 
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ISSN 0009-2347
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