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JESS, A joint expert speciation system-I. Raison d'être.
1School of Mathematical and Physical Sciences, Murdoch University, Murdoch, Western Australia Australia 6150.
Talanta
|December 1, 1991
Summary
JESS is a new computer package designed for chemical speciation modeling and data analysis. This extensive Fortran-based system aids researchers in complex solution chemistry problems.
Area of Science:
- Chemistry
- Computational Chemistry
- Chemical Engineering
Background:
- Chemical speciation modeling requires specialized knowledge and computational tools.
- Existing software may not adequately address complex solution chemistry challenges.
Purpose of the Study:
- Introduce JESS, a novel computer package for chemical systems modeling.
- Provide a foundation for understanding JESS's development principles and core functionalities.
Main Methods:
- Development of a comprehensive Fortran-based computer package named JESS.
- Implementation of over 150 programs and 1200 subroutines.
- Focus on numerical analyses of experimental data in solution chemistry.
Main Results:
- JESS comprises extensive code (120,000 lines) for chemical modeling.
- The package is designed to handle problems needing expert chemical speciation knowledge.
- Initial development focuses on core principles and system architecture.
Conclusions:
- JESS offers a robust platform for advanced chemical speciation modeling.
- The package facilitates numerical analysis of experimental data.
- Further publications will detail JESS's specific advanced features.
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