| Issue |
| Total 17 articles [ 키워드: Molecular Dynamic ] |
| No. | Article |
| 1 |
Korean Journal of Chemical Engineering, 40 (3), pp.539-547 (2023) Data-driven designs and multi-scale simulations of enhanced ion transport in low-temperature operation for lithium-ion batteries Chang HJ, Park YJ, Kim JH, et al. |
| 2 |
Korean Journal of Chemical Engineering, 39 (7), pp.1831-1838 (2022) Polymerization mechanism of polyferric aluminum phosphatic sulfate (PFAPS) and its flocculation effect on simulated dye wastewater Li S, Kang Y |
| 3 |
Korean Journal of Chemical Engineering, 39 (6), pp.1368-1374 (2022) Computational discovery of novel human LMTK3 inhibitors by high throughput virtual screening using NCI database Krishnan A, Dhamodharan D, Sundaram T, et al. |
| 4 |
Korean Journal of Chemical Engineering, 39 (3), pp.717-723 (2022) Enhancement of supercritical carbon dioxide solubility modelsusing molecular simulation data Moradi H, Rezamandi N, Azizpour H, et al. |
| 5 |
Korean Journal of Chemical Engineering, 39 (2), pp.306-315 (2022) Study on mass transfer and heat transfer in transition zone of short-path distillation separation equipment based on N-dodecanol and N-hexadecanol Duan Z, Zhang H, Liu B, et al. |
| 6 |
Korean Journal of Chemical Engineering, 35 (4), pp.900-908 (2018) Treatment of penicillin with supercritical water oxidation: Experimental study of combined ReaxFF molecular dynamics Ma T, Hu T, Jiang D, et al. |
| 7 |
Korean Journal of Chemical Engineering, 34 (7), pp.2011-2018 (2017) Isobaric vapor-liquid equilibrium of 2-propanone+2-butanol system at 101.325 kPa: Experimental and molecular dynamics simulation Hardjono, Mustain A, Suharti PH, et al. |
| 8 |
Korean Journal of Chemical Engineering, 34 (4), pp.977-986 (2017) Prediction of the self-diffusion coefficients in aqueous KCl solution using molecular dynamics: A comparative study of two force fields Esmaeilbeig MA, Movahedirad S |
| 9 |
Korean Journal of Chemical Engineering, 33 (1), pp.255-259 (2016) Hydrogen bond dynamics in liquid water: Ab initio molecular dynamics simulation Kim C, Yeom MS, Kim E |
| 10 |
Korean Journal of Chemical Engineering, 32 (3), pp.494-500 (2015) Molecular dynamics simulation of carbon molecular sieve preparation for air separation Yaghoobpour E, Ahmadpour A, Farhadian N, et al. |
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