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HyperChem in Chemical Engineering

Classroom based course with study materials, lecturer support and CPD Hours included


London Training For Excellence

Summary

Price
£4,200 inc VAT
Study method
Online, self-paced
Duration
5 Days
Qualification
No formal qualification
Additional info
  • Tutor is available to students

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Overview

Learning Objectives: This seminar provides in depth knowledge and expertise in using one of the most powerful computational tools available. A full presentation of software’s capabilities and potential applications is provided, including numerous case studies investigations and research insights. This seminar is specifically focused on Chemistry and Chemical Engineering involved scientists.

Description

Modeling of 3D chemical structures

  • Periodic table
  • Auto build
  • Graphical User Interfaces [GUI]
  • 3D models
  • Structural characteristics
  • Chemical Characteristics
  • Electronic properties
  • Polymers
  • New substances creation
  • Moving, translating, using constraints on chemical structures
  • Investigating energies and conformations

Capabilities:

  • Molecular Dynamics
  • Monte Carlo
  • Ab Initio
  • Density Functional Theory
  • Semi Empirical force fields
  • Available basis functions
  • Atomic and molecular orbitals
  • Geometry Optimizations
  • Snapshots and recording

Case Studies:

  • Hydrogen adsorption in porous carbonaceous adsorbents
  • CO2 removal by adsorption in porous solids
  • Catalysis
  • Protein folding
  • Solvation
  • Water models
  • Membranes selectivity and permeability
  • Diffusion of gases onto porous surfaces of solids
  • Protein folding
  • Opto electronic properties of polymers
  • Gas mixing
  • Elastic polymers atomistic scale behavior
  • VOC removal by MIPs, ACs, Carbon allotropes
  • Novel Carbon structures [Graphene, Fullerene, Nanotubes]

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