Synthesis and Structure of an Octopus-like Octapropargyl Tetra-iso-butyl-resorcin[4]arene

Treatment of tetra-iso-butyl-resorcin[4]arene 1 with propargyl bromide in the presence of K2CO3 as base gave an octopus-like octapropargyl tetra-iso-butyl-resorcin[4]arene 2 （C68H72O8, Mr = 1017.26） in a quantitative yield. Single-crystal structure of 2 was determined by X-ray crystallography. 2 crystallizes in the monoclinic system, space group P21/n with a =13.3247（6）, b = 24.7929（11）, c = 19.1810（9）A°, β = 109.272（1）°, V= 5981.5（5） A°^3, Dc = 1.130g/cm^3,μ = 0.073 mm^-1, F（000） = 2176 and Z = 4. Overall structure of 2 reveals an octopus-like resorcinarene with eight propargyl groups in different directions. The resorcinarene adopts the boat conformation where the iso-butyl residues act as four-legged piano stool. The two opposite aryl rings of the macrocyclic framework are almost coplanar, and the two others facing each other are perpendicular to this plane.

One-dimensional Hydrogen-bonded Polymer Based on Tetra-iso-butyl-resorcin[4]arene and 2,6-Diacetylpyridine

The co-crystallization of tetra-iso-butyl-resorcin[4]arene 1 and 2,6-diacetyl- pyridine (Ac2py) from MeCN/CH2Cl2 yielded a multi-component complex 1?Ac2py?2H2O?0.5Me- CN 2, in which the upper rim of 1 is extended supramolecularly by way of hydrogen bonds. Complex 2 (C52H66.5N1.5O14) crystallizes in monoclinic, space group P21/m with a = 10.845(9), b = 20.805(17), c = 12.881(11) ?, β = 103.884(19)o, V = 2821(4) ?3, Dc = 1.102 g/cm3 and Z = 2. The molecular structure shows that the two adjacent double-stranded arrays as well as linear and zigzag chains generated from Ac2py and water bridging to two resorcin[4] arene molecules, respectively, facilitate self-inclusion of one-dimensional hydrogen-bonded polymer.

Performance simulation method and state of health estimation for lithium-ion batteries based on aging-effect coupling model

Accurate simulation of characteristics performance and state of health(SOH)estimation for lithium-ion batteries are critical for battery management systems(BMS)in electric vehicles.Battery simplified electrochemical model(SEM)can achieve accurate estimation of battery terminal voltage with less computing resources.To ensure the applica-bility of life-cycle usage,degradation physics need to be involved in SEM models.This work conducts deep analysis on battery degradation physics and develops an aging-effect coupling model based on an existing improved single particle(ISP)model.Firstly,three mechanisms of solid electrolyte interface(SEI)film growth throughout life cycle are analyzed,and an SEI film growth model of lithium-ion battery is built coupled with the ISP model.Then,a series of identification conditions for individual cells are designed to non-destructively determine model parameters.Finally,battery aging experiment is designed to validate the battery performance simulation method and SOH estimation method.The validation results under different aging rates indicate that this method can accurately es-timate characteristics performance and SOH for lithium-ion batteries during the whole life cycle.

Adaptive Fitting Capacity Prediction Method for Lithium‑Ion Batteries

Lithium-ion batteries have become the mainstream power source for electric vehicles because of their excellent performance.However,lithium-ion batteries still experience aging and capacity attenuation during usage.It is therefore critical to accu-rately predict battery remaining capacity for increasing battery safety and prolonging battery life.This paper first adopts the metabolism grey algorithm and a simplified electrochemical model to predict battery capacity under different operating conditions.To improve the prediction performance where the capacity changes nonlinearly,a decoupling analysis of battery capacity loss is then conducted based on the simplified electrochemical model.Finally,an adaptive fitting method is devel-oped for capacity prediction,aiming at improving the prediction accuracy at the inflection point of battery capacity diving.The prediction results indicate that the developed adaptive fitting method can achieve high prediction accuracy under battery capacity attenuation at different discharge stages with errors lower than 2.2%.And the battery capacity decay shows linear variation,and the proposed method effectively forecast the inflection point of battery capacity diving.