Demonstration of the procedures
for editing existing estimation techniques or adding new
estimation techniques. Applicable to both Cranium and
Synapse.
This MKS Web App enables you to estimate the properties of
chemicals using group contribution
and equation-based estimation techniques. It is a good
place to learn about physical property estimation.
Cranium and Synapse can generate MATLAB script files that contain
the physical property values needed for these analyses. We call
these files MKS MATLAB Properties Files. This MKS Web App uses
a Cranium WebServer Edition to demonstrate this capability.
This MKS Web App demonstrates Cranium's ability to
generate physical property estimation directly from molecular
structure. Use the MKS Online Structure Editor to enter your
molecular structure and press the Estimate button.
This MKS Web Application demonstrates the Cranium WebServer
Edition's ability to distribute physical property data and
estimates using the internet. The example webpage displays
data and estimates for approximately 1000 chemicals.
This MKS Web App shows how the Cranium can generate neutral
files for the CHEMCAD
process simulator directly from molecular structure. Cranium
generates both constant properties and temperature dependent
properties.
This MKS Web App shows how the Cranium can generate physical
property files for AVEVA's chemical
process simulator directly from molecular structure. Cranium
generates both constant properties and temperature dependent
properties.
Often used as the starting document for a new knowledge base, this
template KB contains information on
techniques (T), groups (G), elements (E), and references (R).
Often used for importing properties
and techniques from other software
programs. The KB contains information on groups (G),
elements (E) and references (R).
This KB contains property data for 65 organosilicon chemicals used to
evaluate the accuracy and applicability of estimation techniques for
organosilicon chemicals.
This webpage explains how to find binary azeotropes, a step-by-step
video, a bookmarks document containing common solvents, and a
knowledge base containing needed data and estimation techniques.
This evaluation investigated how well Cranium and Synapse estimate
the physical properties of organosilicon chemicals. Estimates
were compared against experimental data.