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. 2017 Oct 2;7:12530. doi: 10.1038/s41598-017-12982-4

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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van Krevelen diagram showing the four types of kerogen and how their elemental compositions change as they mature. The red dots show the types of kerogen used in the experiments and molecular dynamics simulations presented in the text. The H/C and O/C ratios of kerogen sample used in experiments are 1.46 and 0.07, respectively based on the elemental composition of kerogen isolated from Mahogany zone, Green River Formation in a previous work²⁴. The H/C and O/C ratios of molecular model of kerogen (unit II C from Ungerer) are 0.905 and 0.054, respectively. The plot is re-drawn after the work of McCarthy et al.²⁵.