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Chemical Engineering & Processing Portal

Programs and Projects
Thermodynamics of Enzyme-catalyzed Reactions

To develop the thermodynamic data and methodology required for effective bioprocess engineering. more

Affect of Partial Charge Calculation Method on Adsorption Thermodynamics

In classical molecular simulations, electrostatic contributions to the potential energy are typically accounted for by assigning partial charges … more

Atomic Standard for Pressure

NIST scientists are developing a highly accurate primary standard for pressure in the range 2 MPa to 7 MPa based on fundamental physical … more

Ceramic Phase Equilibrium Data

Advanced ceramics and inorganic materials are critically enabling elements in devices and systems across many technology sectors, such as … more

Solvation Free Energy

Measuring and maintaining water quality is increasingly becoming a significant global issue.  As new chemicals are introduced into the water … more

NIST Standard Reference Simulation Website

The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of … more

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