Global minimum profile error (GMPE) – a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions-Reference-Cited by-同舟云学术

Global minimum profile error (GMPE) – a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions

Published:2018 Issue:2 Volume:20 Page:1231-1239
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duong Minh v.¹²³⁴⁵^ORCID,Nguyen Hieu T.¹²³⁴⁵^ORCID,Mai Tam V.-T.¹²³⁴⁵^ORCID,Huynh Lam K.⁶⁷⁴⁵^ORCID

Affiliation:

1. Institute for Computational Science and Technology

2. SBI Building

3. Quang Trung Software City

4. Ho Chi Minh City

5. Vietnam

6. International University

7. Vietnam National University – HCMC

Abstract

The new GMPE method was introduced to derive the macroscopic rate coefficients for complex gas-phase reactions from the time-resolved species profiles obtained from the master equation (ME) solutions.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP06340G

Reference21 articles.

1. Master Equation Methods in Gas Phase Chemical Kinetics

2. MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions

3. A general method for numerically simulating the stochastic time evolution of coupled chemical reactions

4. Perspective: Stochastic algorithms for chemical kinetics

5. Stochastic models of the interconversion of three or more chemical species

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